Acetic acid

Formula: C₂H₄O₂
Molecular weight: 60.0520
IUPAC Standard InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
IUPAC Standard InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
CAS Registry Number: 64-19-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
- Acetic acid-d4
Other names: Ethanoic acid; Ethylic acid; Glacial acetic acid; Methanecarboxylic acid; Vinegar acid; CH3COOH; Acetasol; Acide acetique; Acido acetico; Azijnzuur; Essigsaeure; Octowy kwas; Acetic acid, glacial; Kyselina octova; UN 2789; Aci-jel; Shotgun; Ethanoic acid monomer; NSC 132953
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Information on this page:
Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 79
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
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Normal alkane RI, polar column, temperature ramp

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-FFAP	HP-FFAP	DB-Wax	DB-FFAP	FFAP
Column length (m)	25.	25.	60.	30.	60.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.32	0.25
Phase thickness (μm)	0.50	0.50	0.25	0.25	0.25
T_start (C)	45.	45.	50.	50.	45.
T_end (C)	220.	220.	220.	250.	220.
Heat rate (K/min)	15.	15.	3.	4.	5.
Initial hold (min)			2.	4.	1.
Final hold (min)			20.	5.	5.
I	1465.	1476.	1431.	1465.	1429.
Reference	Wanakhachornkrai and Lertsiri, 9999	Wanakhachornkrai and Lertsiri, 9999	Onishi, Inoue, et al., 2011	Osorio, Carriazo, et al., 2011	Piyachaiseth, Jirapakkul, et al., 2011
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	TC-Wax	DB-Wax	FFAP	DB-FFAP
Column length (m)	30.	60.	60.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25		0.50	0.25	0.25
T_start (C)	40.	40.	40.	40.	0.
T_end (C)	210.	230.	210.	240.	200.
Heat rate (K/min)	3.	3.	2.	6.	6.
Initial hold (min)		3.	5.	2.	2.
Final hold (min)			70.
I	1439.	1455.	1465.	1450.	1450.
Reference	Kumazawa, Sakai, et al., 2010	Miyazawa, Fujita, et al., 2010	Moon and Shibamoto, 2010	Christlbauer and Schieberle, 2009	Laselan, Buettner, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax	DB-Wax	DB-Wax	DB-Wax	DB-Wax
Column length (m)	60.	60.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.50	0.25	0.25	0.25
T_start (C)	50.	40.	40.	40.	60.
T_end (C)	230.	210.	230.	180.	250.
Heat rate (K/min)	6.	2.	3.	3.5	10.
Initial hold (min)	2.	5.	2.	10.	2.
Final hold (min)	15.	70.	5.	30.	10.
I	1445.	1468.	1441.	1464.	1425.
Reference	Mo, Fan, et al., 2009	Moon and Shibamoto, 2009	Zhao, Xu, et al., 2009	Caldeira, de Sousa, et al., 2008	Guo, Wu, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	HP-Innowax	HP-Innowax	CP Wax 52 CB	Stabilwax
Column length (m)	30.	50.	30.	60.	60.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.20	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.20	0.25	0.25	0.25
T_start (C)	60.	45.	50.	40.	40.
T_end (C)	250.	190.	250.	220.	240.
Heat rate (K/min)	10.	4.	6.5	3.	3.
Initial hold (min)	2.	2.	1.5		5.
Final hold (min)	10.	50.	10.		10.
I	1425.	1471.	1460.	1436.	1453.
Reference	Guo, Wu, et al., 2008	Soria, Sanz, et al., 2008	Thakeow, Angeli, et al., 2008	Chen, Chyau, et al., 2007	Cros, Vandanjon, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	FFAP	CP-Wax 52CB	RTX-Wax	DB-Wax
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	He	N2	He	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.5	0.5	0.5	0.5	0.25
T_start (C)	40.	35.	40.	40.	40.
T_end (C)	240.	320.	220.	220.	230.
Heat rate (K/min)	5.	4.	4.	10.	4.
Initial hold (min)		5.	8.	5.	2.
Final hold (min)		45.	20.	10.	5.
I	1469.	1478.	1462.	1436.	1424.
Reference	Dury-Brun, Fournier, et al., 2007	Nebesny, Budryn, et al., 2007	Povolo, Contarini, et al., 2007	Prososki, Etzel, et al., 2007	Xu, Fan, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	HP-Innowax	DB-Wax
Column length (m)	60.	30.	30.	30.	60.
Carrier gas	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.5	0.25	0.25	0.5	0.25
T_start (C)	50.	40.	40.	40.	70.
T_end (C)	230.	230.	230.	200.	230.
Heat rate (K/min)	3.	4.	6.	2.	2.
Initial hold (min)	2.	2.	2.	3.	2.
Final hold (min)	20.	15.	15.	15.	20.
I	1448.	1424.	1473.	1433.	1449.
Reference	Cai, Lin, et al., 2006	Fan and Qian, 2006	Fan and Qian, 2006, 2	Komes, Ulrich, et al., 2006	Lan Phi N.T., Nishiyama C., et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax Etr	ZB-Wax	DB-Wax	Carbowax 20M	Stabilwax
Column length (m)	30.	60.	30.	50.	30.
Carrier gas	He	He	N2	Helium
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.32
Phase thickness (μm)	0.25	0.5	0.25	0.25	0.5
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	220.	250.	230.	190.	280.
Heat rate (K/min)	2.	3.	4.	4.	6.
Initial hold (min)	1.	2.	2.	2.	5.
Final hold (min)	10.	10.	5.	30.	5.
I	1485.	1477.	1473.	1458.	1409.
Reference	Perestrelo, Fernandes, et al., 2006	Wierda R.L., Fletcher G., et al., 2006	Fan and Qian, 2005	de la Fuente, Martinez-Castro, et al., 2005	Jirovetz, Buchbauer, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Stabilwax DA	DB-Wax	ZB-Wax	ZB-Wax	PEG-20M
Column length (m)	60.	60.	30.	30.	30.
Carrier gas		Nitrogen	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.32	0.25
Phase thickness (μm)	0.5	0.50	0.25	0.25
T_start (C)	40.	35.	40.	40.	60.
T_end (C)	180.	235.	250.	250.	180.
Heat rate (K/min)	5.	2.	5.	5.	3.
Initial hold (min)	5.	4.	2.	2.	10.
Final hold (min)		30.	5.	5.	30.
I	1470.	1471.	1454.	1466.	1466.
Reference	Nogueira, Lubachevsky, et al., 2005	Qian and Wang, 2005	N/A	N/A	Yao, Guo, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	TC-Wax	DB-Wax	DB-Wax
Column length (m)	60.	30.	60.	60.	60.
Carrier gas		H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.5	0.5	0.5
T_start (C)	35.	40.	40.	60.	60.
T_end (C)	240.	200.	230.	220.	220.
Heat rate (K/min)	4.	4.	3.	2.	2.
Initial hold (min)	5.	5.	8.	4.	4.
Final hold (min)	10.
I	1457.	1477.	1455.	1448.	1448.
Reference	Chida, Sone, et al., 2004	Culleré, Escudero, et al., 2004	Ishikawa, Ito, et al., 2004	Jiang and Kubota, 2004	Jiang and Kubota, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	HP-FFAP	HP-Innowax	DB-Wax	DB-Wax
Column length (m)	60.	30.	50.	30.	30.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.5
T_start (C)	40.	40.	45.	50.	50.
T_end (C)	220.	120.	190.	180.	200.
Heat rate (K/min)	3.	5.	4.	3.	3.
Initial hold (min)	5.	5.	2.		10.
Final hold (min)		3.	50.	40.	10.
I	1466.	1463.	1471.	1455.	1474.
Reference	López, Ezpeleta, et al., 2004	López, Guzmán, et al., 2004	Soria, Gonzalez, et al., 2004	Yanagimoto, Ochi, et al., 2004	Alves and Franco, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Stabilwax	DB-Wax	DB-Wax	DB-Wax	DB-Wax
Column length (m)	60.	60.	60.	30.	30.
Carrier gas	Helium	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	240.	230.	210.	210.	185.
Heat rate (K/min)	3.	4.	3.	3.	4.
Initial hold (min)	5.	5.			4.
Final hold (min)	10.	25.			20.
I	1453.	1449.	1447.	1454.	1434.
Reference	Cros, Vandanjon, et al., 2003	Dregus and Engel, 2003	Kumazawa and Masuda, 2003	Kumazawa and Masuda, 2003	Lee and Noble, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	TC-Wax	Innowax	DB-Wax
Column length (m)	30.	30.	60.	60.	30.
Carrier gas	He	H2	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.5			0.25
T_start (C)	50.	40.	80.	60.	30.
T_end (C)	230.	200.	250.	220.	250.
Heat rate (K/min)	3.	4.	4.	4.	4.
Initial hold (min)	2.	5.		10.	1.
Final hold (min)	20.		30.	10.
I	1451.	1467.	1459.	1475.	1451.
Reference	Lin, Cai, et al., 2003	López, Ortín, et al., 2003	Miyazawa and Okuno, 2003	Suleimenov, Atazharova, et al., 2003	Tanaka, Yamauchi, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	Supelcowax-10	HP-FFAP	HP-FFAP
Column length (m)	30.	30.	30.	25.	25.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.5	0.5
T_start (C)	30.	40.	40.	45.	45.
T_end (C)	250.	200.	200.	220.	220.
Heat rate (K/min)	4.	3.	3.	15.	15.
Initial hold (min)	1.	10.	10.
Final hold (min)
I	1451.	1448.	1442.	1465.	1476.
Reference	Tanaka, Yamauchi, et al., 2003	Vichi, Castellote, et al., 2003	Vichi, Pizzale, et al., 2003	Wanakhachornkrai and Lertsiri, 2003	Wanakhachornkrai and Lertsiri, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-FFAP	BP-20	DB-Wax	DB-Wax	RTX-Wax
Column length (m)	30.	50.	30.	30.	60.
Carrier gas	He	H2	H2	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.5	0.25	0.5
T_start (C)	40.	45.	40.	40.	40.
T_end (C)	230.	230.	200.	250.	180.
Heat rate (K/min)	6.	3.	4.	8.	5.
Initial hold (min)	2.	1.	5.	5.	5.
Final hold (min)	10.	10.		5.	20.
I	1443.	1452.	1461.	1433.	1451.
Reference	Czerny and Schieberle, 2002	Darriet, Pons, et al., 2002	Ferreira, Ortín, et al., 2002	Fu, Yoon, et al., 2002	Galindo-Cuspinera, Lubran, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	FFAP	TC-WAX FFS	DB-Wax	DB-Wax	HP-FFAP
Column length (m)	30.	60.	30.	30.	25.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	1.		0.25	0.25	0.52
T_start (C)	35.	60.	50.	50.	60.
T_end (C)	240.	240.	220.	220.	240.
Heat rate (K/min)	5.	3.	4.	4.	5.
Initial hold (min)	3.		4.	4.	1.
Final hold (min)			20.	20.	5.
I	1410.	1453.	1415.	1432.	1460.
Reference	Lecanu, Ducruet, et al., 2002	Miyazawa, Maehara, et al., 2002	Osorio, Duque, et al., 2002	Osorio, Duque, et al., 2002	Qian and Reineccius, 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Wax	TC-Wax	DB-Wax	DB-Wax	EC-1000
Column length (m)	60.	60.	60.	30.	30.
Carrier gas	He	He	He	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.5	0.25	0.25	0.5	0.25
T_start (C)	40.	40.	40.	40.	35.
T_end (C)	190.	230.	200.	200.	230.
Heat rate (K/min)	3.	3.	2.	4.	5.
Initial hold (min)	6.	10.	2.	5.	5.
Final hold (min)		10.		60.	15.
I	1480.	1424.	1437.	1452.	1455.
Reference	Sanz, Maeztu, et al., 2002	Suhardi, Suzuki, et al., 2002	Umano, Hagi, et al., 2002	Aznar, López, et al., 2001	Bendall, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	HP-Wax	TC-Wax	HP-Wax
Column length (m)	30.	30.	60.	60.	60.
Carrier gas	Helium	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.5	0.5		0.5
T_start (C)	25.	40.	40.	80.	40.
T_end (C)	220.	200.	190.	250.	190.
Heat rate (K/min)	4.	4.	3.	4.	3.
Initial hold (min)		5.	6.		6.
Final hold (min)	30.	60.		47.
I	1422.	1452.	1480.	1441.	1480.
Reference	Duque, Bonilla, et al., 2001	Ferreira, Aznar, et al., 2001	Maeztu, Sanz, et al., 2001	Miyazawa, Kurose, et al., 2001	Sanz, Ansorena, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-FFAP	DB-Wax	DB-Wax	DB-Wax	DB-Wax
Column length (m)	30.	30.	60.	60.	30.
Carrier gas	He	He	He		He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	40.	50.	40.	30.	50.
T_end (C)	195.	220.	200.	170.	180.
Heat rate (K/min)	5.	4.	2.	2.	3.
Initial hold (min)	5.	3.		4.	8.
Final hold (min)	40.			30.
I	1452.	1451.	1435.	1440.	1465.
Reference	Suriyaphan, Drake, et al., 2001	Weckerle, Bastl-Borrmann, et al., 2001	Wei, Mura, et al., 2001	Buttery, Light, et al., 2000	Franco and Shibamoto, 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	DB-Wax	DB-Wax
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	H2	H2	He	He	Nitrogen
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.5	0.5	0.25	0.25
T_start (C)	60.	60.	50.	50.	40.
T_end (C)	245.	245.	240.	240.	200.
Heat rate (K/min)	3.	3.	4.	4.	2.
Initial hold (min)	3.	3.	3.	3.	10.
Final hold (min)	20.	20.	10.	10.
I	1449.	1449.	1424.	1430.	1457.
Reference	Kotseridis and Baumes, 2000	Kotseridis and Baumes, 2000	Parada, Duque, et al., 2000	Parada, Duque, et al., 2000	Tamura, Boonbumrung, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	CP-Wax 52CB	DB-Wax	DB-Wax	Carbowax 20M
Column length (m)	25.	50.	30.	30.	60.
Carrier gas	He	H2			He
Substrate
Column diameter (mm)	0.3	0.32	0.53	0.53	0.32
Phase thickness (μm)		0.22			0.5
T_start (C)	60.	60.	60.	60.	40.
T_end (C)	190.	190.	210.	210.	190.
Heat rate (K/min)	5.	2.	4.	4.	2.
Initial hold (min)	2.	4.			5.
Final hold (min)	20.	21.
I	1432.	1450.	1450.	1449.	1454.
Reference	Xue, Ye, et al., 2000	Hwan and Chou, 1999	Iwatsuki, Mizota, et al., 1999	Iwatsuki, Mizota, et al., 1999	Lopez, Ferreira, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	Supelcowax-10	Carbowax 20M	DB-Wax
Column length (m)	60.	60.	60.	50.	30.
Carrier gas	He		H2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25		0.5	0.25	0.25
T_start (C)	60.	30.	35.	35.	50.
T_end (C)	240.	170.	250.	230.	240.
Heat rate (K/min)	4.	2.	5.	3.	4.
Initial hold (min)		4.	5.		3.
Final hold (min)		30.	20.	30.	10.
I	1460.	1440.	1470.	1430.	1424.
Reference	Ngassoum, Yonkeu, et al., 1999	Buttery and Ling, 1998	Campeanu, Burcea, et al., 1998	Chatonnet and Dubourdieu, 1998	Parada and Duque, 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Innowax	PEG-20M	DB-Wax	DB-Wax
Column length (m)	30.	30.	60.	60.	60.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25
T_start (C)	50.	40.	70.	60.	50.
T_end (C)	240.	240.	210.	180.	200.
Heat rate (K/min)	4.	6.	3.	2.	3.
Initial hold (min)	3.	10.
Final hold (min)	10.	25.			40.
I	1446.	1451.	1430.	1445.	1459.
Reference	Parada and Duque, 1998	Petersen, Poll, et al., 1998	Awano, Honda, et al., 1997	Sekiwa, Kubota, et al., 1997	Wada and Shibamoto, 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	PEG-20M	TC-Wax	Supelcowax-10	DB-Wax	DB-Wax
Column length (m)	50.	60.	60.	30.	60.
Carrier gas	Nitrogen		He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.25
T_start (C)	60.	80.	40.	20.	40.
T_end (C)	180.	240.	200.	230.	200.
Heat rate (K/min)	2.	3.	3.	5.	2.
Initial hold (min)		5.	3.	1.	2.
Final hold (min)			30.
I	1415.	1460.	1488.	1418.	1448.
Reference	Kubota, Matsujage, et al., 1996	Shuichi, Masazumi, et al., 1996	Wong and Lai, 1996	Christensen and Reineccius, 1995	Umano, Hagi, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	DB-Wax	Carbowax 20M	Carbowax 20M	PEG-20M
Column length (m)	50.	30.	50.	50.	50.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.33	0.25	0.25
Phase thickness (μm)
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	180.	240.	200.	180.	180.
Heat rate (K/min)	2.	3.	3.	2.	2.
Initial hold (min)	4.	10.		4.
Final hold (min)
I	1405.	1410.	1410.	1405.	1417.
Reference	Kawakami, Kobayashi, et al., 1993	Hatsuko, Kazuko, et al., 1992	Vernin, Metzger, et al., 1992	Kawakami and Kobayashi, 1991	Kubota, Nakamoto, et al., 1991
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	Carbowax 20M	Carbowax 20M	Carbowax 20M
Column length (m)	60.	60.	50.	50.	50.
Carrier gas		He	N2	N2	N2
Substrate
Column diameter (mm)	0.32	0.25	0.22	0.22	0.22
Phase thickness (μm)		0.25
T_start (C)	50.	40.	80.	80.	80.
T_end (C)	230.	175.	200.	200.	200.
Heat rate (K/min)	4.	1.	3.	3.	3.
Initial hold (min)	0.1	5.
Final hold (min)	10.
I	1451.	1471.	1403.	1413.	1403.
Reference	Binder, Flath, et al., 1989	Hsieh, Williams, et al., 1989	Mihara, Tateba, et al., 1988	Mihara, Tateba, et al., 1988	Mihara, Tateba, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	FFAP	FFAP	Carbowax 20M	Carbowax 20M
Column length (m)	50.	50.	50.	50.	50.
Carrier gas	N2	He	He	N2	N2
Substrate
Column diameter (mm)	0.22	0.28	0.28	0.22	0.22
Phase thickness (μm)
T_start (C)	80.	60.	60.	80.	80.
T_end (C)	200.	240.	240.	200.	200.
Heat rate (K/min)	3.	2.	2.	3.	3.
Initial hold (min)		5.	5.
Final hold (min)
I	1413.	1425.	1425.	1403.	1413.
Reference	Mihara, Tateba, et al., 1988	Vernin, Metzger, et al., 1988	Vernin, Metzger, et al., 1988	Mihara, Tateba, et al., 1987	Mihara, Tateba, et al., 1987
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	Carbowax 20M	Carbowax 20M	Carbowax 20M
Column length (m)	50.	50.	150.	150.
Carrier gas	N2	N2
Substrate
Column diameter (mm)	0.22	0.22	0.64	0.64
Phase thickness (μm)
T_start (C)	80.	80.	50.	50.
T_end (C)	200.	200.	170.	170.
Heat rate (K/min)	3.	3.	1.	1.
Initial hold (min)				30.
Final hold (min)			30.	60.
I	1403.	1413.	1430.	1430.
Reference	Mihara, Tateba, et al., 1987	Mihara, Tateba, et al., 1987	Buttery, Kamm, et al., 1984	Buttery, Ling, et al., 1983
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes

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Cros, Vandanjon, et al., 2003
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Lee and Noble, 2003
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Lin, Cai, et al., 2003
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López, Ortín, et al., 2003
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Miyazawa and Okuno, 2003
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Suleimenov, Atazharova, et al., 2003
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Tanaka, Yamauchi, et al., 2003
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Vichi, Castellote, et al., 2003
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Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Czerny and Schieberle, 2002
Czerny, M.; Schieberle, P., Important aroma compounds in freshly ground wholemeal and white wheat flour-identification and quantitative changes during sourdough fermentation, J. Agric. Food Chem., 2002, 50, 23, 6835-6840, https://doi.org/10.1021/jf020638p . [all data]

Darriet, Pons, et al., 2002
Darriet, P.; Pons, M.; Henry, R.; Dumont, O.; Findeling, V.; Cartolaro, P.; Calonnec, A.; Dubourdieu, D., Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae, J. Agric. Food Chem., 2002, 50, 11, 3277-3282, https://doi.org/10.1021/jf011527d . [all data]

Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J., Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies, J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645 . [all data]

Fu, Yoon, et al., 2002
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Galindo-Cuspinera, Lubran, et al., 2002
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Notes

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Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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