Benzoic acid, 2-hydroxy-, ethyl ester

Formula: C₉H₁₀O₃
Molecular weight: 166.1739
IUPAC Standard InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
IUPAC Standard InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N
CAS Registry Number: 118-61-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Salicylic acid, ethyl ester; Ethyl o-hydroxybenzoate; Ethyl salicylate; Ethyl 2-hydroxybenzoate; Mesotol; Sal ethyl; Salotan; o-(Ethoxycarbonyl)phenol; 2-Hydroxybenzoic acid ethyl ester; Salicylic ether; NSC 8209
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Normal alkane RI, polar column, custom temperature program

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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	DB-Wax	HP-Innowax FSC	Carbowax 20M	Carbowax 20M	HP-Innowax FSC
Column length (m)	30.	60.			60.
Carrier gas	Helium	N2			He
Substrate
Column diameter (mm)	0.32	0.25			0.25
Phase thickness (μm)	0.25	0.25			0.25
Program	50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	not specified	not specified	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I	1778.	1834.	1780.	1787.	1834.
Reference	Tao, Wenlai, et al., 2008	Baser K.H.C. and Demirci B., 2007	Editorial paper, 2005	Vinogradov, 2004	Erdemoglu, Sener, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Innowax FSC	HP-Innowax FSC	Supelcowax 10	Supelcowax 10	Supelcowax 10
Column length (m)	60.	60.	60.	60.	60.
Carrier gas	He	He	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
Program	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(20min)	60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min)	not specified	not specified
I	1834.	1834.	1819.	1828.	1829.
Reference	Saglam, Gozler, et al., 2001	Kamariah, Lim, et al., 1999	Castioni and Kapetanidis, 1996	Castioni and Kapetanidis, 1996	Castioni and Kapetanidis, 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.
Column length (m)	50.
Carrier gas	Hydrogen
Substrate
Column diameter (mm)	0.32
Phase thickness (μm)
Program	not specified
I	1828.
Reference	Waggott and Davies, 1984
Comment	MSDC-RI

References

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

Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X., Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry, J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x . [all data]

Baser K.H.C. and Demirci B., 2007
Baser K.H.C.; Demirci B., Studies on Betula essential oils, Arkivoc, 2007, 7, 335-348. [all data]

Editorial paper, 2005
Editorial paper, Solid Phase Microextraction (SPME) Application Guide, The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C., The glycosidically bound volatile compounds of Taxus baccata, Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960 . [all data]

Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C., Volatile compounds from Haplophyllum myrtifolium, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815 . [all data]

Kamariah, Lim, et al., 1999
Kamariah, A.S.; Lim, L.B.L.; Baser, K.H.C.; Ozek, T.; Demirci, B., Composition of the essential oil of Plumeria obtusa L., Flavour Fragr. J., 1999, 14, 4, 237-240, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<237::AID-FFJ817>3.0.CO;2-Y . [all data]

Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I., Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS, Scientia Pharmaceutica, 1996, 64, 83-91. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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