Phenylethyl Alcohol

Formula: C₈H₁₀O
Molecular weight: 122.1644
IUPAC Standard InChI: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
IUPAC Standard InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
CAS Registry Number: 60-12-8
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.
Other names: Benzeneethanol; Phenethyl alcohol; β-Hydroxyethylbenzene; β-Phenethyl alcohol; β-Phenylethanol; β-Phenylethyl alcohol; β-PEA; Benzyl Carbinol; Ethanol, 2-phenyl-; Phenethanol; PEA; 2-Phenethyl alcohol; 2-Phenylethanol; 2-Phenylethyl alcohol; Methanol, benzyl-; Phenylethanol; Phenylethyl, beta- alcohol; 2-PEA; β-Fenethylalkohol; β-Fenylethanol; β-Phenethanol; 2-Phenethanol; β-P.E.A.; 1-Phenyl-2-ethanol; Hydroxyethylbenzene; Mellol; Beta-phenylethyl alcohol; Benzenethanol; 1-phenyl-2-ethanol (β-phenylethanol); 2-PhenyIethanol; Benzeneethanol (2-Phenylethanol)
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5MS	HP-5MS	DB-5	DB-Petro
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.2
Phase thickness (μm)	0.25	0.25	0.5	0.5	0.5
T_start (C)	60.	40.	35.	40.	50.
T_end (C)	240.	200.	225.	265.	270.
Heat rate (K/min)	3.	4.	4.	7.	2.
Initial hold (min)		1.	5.
Final hold (min)		10.	30.	5.
I	1117.	1060.	1139.	1120.	1082.4
Reference	Baccouri, Ben Temime, et al., 2007	Cho I.H., Lee S.M., et al., 2007	Jarunrattanasri, Theerakulkait, et al., 2007	Mahattanatawee K., Perez-Cacho P.R., et al., 2007	Pang T., Zhu S., et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Petro	HP-101	HP-101	HP-5	DB-5MS
Column length (m)	50.	25.	25.	30.	30.
Carrier gas		Helium	He	He	H2
Substrate
Column diameter (mm)	0.2	0.20	0.2	0.25	0.25
Phase thickness (μm)	0.5	0.20	0.2	0.25	0.25
T_start (C)	50.	70.	70.	50.	40.
T_end (C)	270.	200.	200.	250.	285.
Heat rate (K/min)	2.	3.	3.	4.	4.3
Initial hold (min)		2.	2.	4.
Final hold (min)		15.	15.	10.
I	1083.7	1144.	1149.	1114.	1112.
Reference	Pang T., Zhu S., et al., 2007	Politeo, Jukic, et al., 2007	Politeo, Jukic, et al., 2007, 2	Quijano, Salamanca, et al., 2007	Radulovic, Misic, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	DB-5	HP-5MS	DB-5MS
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.24	0.25	0.25	0.25
T_start (C)	60.	40.	40.	80.	40.
T_end (C)	200.	240.	240.	300.	200.
Heat rate (K/min)	2.	6.	6.	4.	4.
Initial hold (min)		2.	2.		1.
Final hold (min)	60.	10.	10.		10.
I	1141.	1110.	1117.	1118.4	1060.
Reference	Rout, Rao, et al., 2007	Scheidig, Czerny, et al., 2007	Steinhaus and Schieberle, 2007	Zeng, Zhao, et al., 2007	Cho, Kim, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	VF-5MS	CP Sil 8 CB	DB-1	DB-5MS	HP-5MS
Column length (m)	30.	50.	25.	30.	30.
Carrier gas	He			He	He
Substrate
Column diameter (mm)	0.25	0.32	0.2	0.25	0.25
Phase thickness (μm)			0.33	0.25	0.25
T_start (C)	40.	60.	50.	40.	80.
T_end (C)	250.	220.	300.	200.	300.
Heat rate (K/min)	15.	4.	4.	5.	4.
Initial hold (min)	3.	5.		5.
Final hold (min)		30.		45.
I	1129.	1108.	1139.	1135.	1116.3
Reference	Gilley, DeGrandi-Hoffman, et al., 2006	Mahadevan and Farmer, 2006	Osorio, Alarcon, et al., 2006	Whetstine M.E.C., Drake M.A., et al., 2006	Zhao C.X., Li, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	DB-5MS	BPX-5	HP-5MS
Column length (m)	30.	30.	30.	25.	30.
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	0.25	0.25	0.25
T_start (C)	60.	50.	40.	50.	60.
T_end (C)	250.	260.	200.	300.	250.
Heat rate (K/min)	10.	10.	10.	5.	4.
Initial hold (min)	2.	3.	3.	5.	2.
Final hold (min)	10.		20.		20.
I	1120.	1110.	1150.	1130.	1114.
Reference	Zhao J.Y., Liu J.M., et al., 2006	Zhao, Wang X.Y., et al., 2006	Carunchia Whetstine, Croissant, et al., 2005	Dickschat J.S., Wagner-Dobler I., et al., 2005	Pino, Mesa, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-5	HP-5MS	HP-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		He	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.	80.	80.	80.
T_end (C)	200.	250.	290.	290.	290.
Heat rate (K/min)	10.	5.	2.	4.	6.
Initial hold (min)	3.	2.
Final hold (min)	20.	5.
I	1150.	1088.	1115.1	1116.2	1116.8
Reference	Whetstine, Cadwallader, et al., 2005	Wu, Zorn, et al., 2005	Zhao, Liang, et al., 2005	Zhao, Liang, et al., 2005	Zhao, Liang, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	HP-5	ZB-5	SPB-5	SPB-5
Column length (m)	25.	30.	0.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.22	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.5	0.25	0.25
T_start (C)	50.	50.	40.	60.	60.
T_end (C)	300.	290.	265.	250.	250.
Heat rate (K/min)	5.	4.	7.	4.	4.
Initial hold (min)	5.			2.	2.
Final hold (min)			5.	20.	20.
I	1125.	1113.	1100.	1110.	1111.
Reference	Dickschat, Wenzel, et al., 2004	Flach A., Dondon R.C., et al., 2004	Gocmen, Gurbuz, et al., 2004	Pino, Marbot, et al., 2004	Pino, Marbot, et al., 2004, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5	HP-1	HP-1	HP-5
Column length (m)	30.	30.	50.	50.	30.
Carrier gas	N2		He	He	N2
Substrate
Column diameter (mm)	0.32	0.25	0.2	0.2	0.25
Phase thickness (μm)	0.25	0.1	0.33	0.33	0.25
T_start (C)	60.	-30.	60.	60.	60.
T_end (C)	220.	250.	250.	250.	220.
Heat rate (K/min)	5.	10.	2.	2.	5.
Initial hold (min)		1.	5.	5.	10.
Final hold (min)	13.	5.	20.	20.
I	1084.	1113.	1086.	1080.	1111.
Reference	Raina, Kumar, et al., 2004	Siegmund and Murkovic, 2004	Cavalli, Fernandez, et al., 2003	Cavalli, Fernandez, et al., 2003	Flamini, Luigi Cioni, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	PE-5	HP-5MS	CP Sil 5 CB	DB-1	DB-5
Column length (m)	30.	60.	60.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)		0.25	0.25	0.25	0.25
T_start (C)	40.	40.	60.	40.	60.
T_end (C)	280.	310.	280.	325.	240.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)		1.	10.
Final hold (min)		20.	60.
I	1112.	1116.	1080.	1076.2	1113.
Reference	Isidorov and Vinogorova, 2003	Lalel, Singh, et al., 2003	Pino, Almora, et al., 2003	Sun and Stremple, 2003	Flamini, Cioni, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-5	SPB-5	CP Sil 5 CB	DB-5
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	N2		He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.4	0.25
T_start (C)	60.	35.	60.	60.	40.
T_end (C)	220.	200.	250.	280.	220.
Heat rate (K/min)	5.	10.	4.	3.	10.
Initial hold (min)	10.	5.	2.	10.	5.
Final hold (min)		30.	20.	60.	30.
I	1113.	1114.	1110.	1081.	1116.
Reference	Flamini, Cioni, et al., 2002, 2	Karagül-Yüceer, Cadwallader, et al., 2002	Pino, Marbot, et al., 2002	Pino, Marbot, et al., 2002, 2	Wu and Cadwallader, 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5MS	HP-5MS	DB-5	CP Sil 5 CB
Column length (m)	15.	30.	30.	30.	50.
Carrier gas		He	He	H2	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.5	0.25	0.25	0.25	0.4
T_start (C)	30.	40.	40.	60.	60.
T_end (C)	225.	200.	200.	240.	280.
Heat rate (K/min)	10.	2.	2.	3.	3.
Initial hold (min)	2.	5.	5.		10.
Final hold (min)	20.	20.	20.		60.
I	1102.	1114.	1109.	1109.	1081.
Reference	Zhou, Wintersteen, et al., 2002	Kim, Shin, et al., 2001	Kim, Shin, et al., 2001	Nogueira, Bittrich, et al., 2001	Pino and Marbot, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 5 CB	HP-5	SE-54	SE-54	DB-5
Column length (m)	50.	30.	25.	25.	30.
Carrier gas	He	He			H2
Substrate
Column diameter (mm)	0.32	0.25	0.31	0.31	0.32
Phase thickness (μm)	0.4				1.
T_start (C)	60.	50.	35.	35.	40.
T_end (C)	280.	200.	230.	230.	210.
Heat rate (K/min)	3.	4.	4.	4.	3.
Initial hold (min)	10.	1.	3.	3.
Final hold (min)	60.		10.	10.
I	1081.	1121.	1069.11	1069.74	1127.
Reference	Pino, Marbot, et al., 2001	Shalit, Katzir, et al., 2001	Yin, Xiu, et al., 2001	Yin, Xiu, et al., 2001	Moio, Piombino, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-1	DB-1	DB-1	DB-1
Column length (m)	30.	30.	60.	60.	60.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.248	0.248	0.248
Phase thickness (μm)	0.25	5.	0.25	0.25	0.25
T_start (C)	40.	35.	50.	50.	50.
T_end (C)	200.	270.	250.	250.	250.
Heat rate (K/min)	2.	10.	5.	5.	5.
Initial hold (min)		1.
Final hold (min)
I	1107.	1105.	1090.	1090.	1091.
Reference	Chassagne, Boulanger, et al., 1999	Bartelt, 1997	Lee, DeMilo, et al., 1997	Lee, DeMilo, et al., 1997	Lee, DeMilo, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	DB-1	DB-1	DB-1
Column length (m)	30.	30.	25.	25.	30.
Carrier gas	He	H2	He	He	He
Substrate
Column diameter (mm)	0.26	0.25	0.2	0.2	0.248
Phase thickness (μm)	0.25		0.11	0.11	0.25
T_start (C)	50.	60.	50.	50.	50.
T_end (C)	225.	220.	250.	250.	250.
Heat rate (K/min)	2.	2.	5.	5.	5.
Initial hold (min)		3.			5.
Final hold (min)	20.
I	1109.	1111.	1089.	1089.	1079.
Reference	Sagrero-Nieves, Bartley, et al., 1997	Sakho, Chassagne, et al., 1997	Warthen, Lee, et al., 1997	Warthen, Lee, et al., 1997	DeMilo, Lee, et al., 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	DB-1	SPB-1	OV-101
Column length (m)	30.	30.	30.	30.	15.
Carrier gas	He	N2	N2	He
Substrate
Column diameter (mm)	0.248	0.32	0.32	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	50.	150.	150.	50.	35.
T_end (C)	250.	280.	280.	250.	250.
Heat rate (K/min)	5.	3.	3.	5.	6.
Initial hold (min)	5.			5.	3.
Final hold (min)
I	1080.	1086.	1086.	1081.	1086.
Reference	DeMilo, Lee, et al., 1996	Coen, Engel, et al., 1995	Coen, Engel, et al., 1995	Lee, DeMilo, et al., 1995	Chisholm, Guiher, et al., 1994
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-101	OV-101	OV-101
Column length (m)	15.	15.	15.	15.	15.
Carrier gas
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)
T_start (C)	35.	35.	35.	35.	35.
T_end (C)	250.	250.	250.	250.	250.
Heat rate (K/min)	6.	6.	6.	6.	6.
Initial hold (min)	3.	3.	3.	3.	3.
Final hold (min)
I	1075.	1080.	1080.	1080.	1080.
Reference	Chisholm, Guiher, et al., 1994	Chisholm, Guiher, et al., 1994	Chisholm, Guiher, et al., 1994	Chisholm, Guiher, et al., 1994	Chisholm, Guiher, et al., 1994
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	DB-1	SPB-1	SE-30
Column length (m)	15.	15.	60.	15.	22.
Carrier gas			He	He	N2
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.30
Phase thickness (μm)			0.25	0.25	1.0
T_start (C)	35.	35.	40.	35.	60.
T_end (C)	250.	250.	280.	250.	250.
Heat rate (K/min)	6.	6.	2.	6.	2.
Initial hold (min)	3.	3.	3.	3.
Final hold (min)			10.
I	1083.	1083.	1102.	1083.	1078.
Reference	Chisholm, Guiher, et al., 1994	Chisholm, Guiher, et al., 1994	Adedeji, Hartman, et al., 1992	Chisholm and Samuels, 1992	de Frutos, Sanz, et al., 1991
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SE-54	DB-1	DB-1	BP-1
Column length (m)	50.	25.	30.	30.	12.
Carrier gas	He	He			H2
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.25
Phase thickness (μm)	1.05	0.15
T_start (C)	40.	40.	50.	50.	40.
T_end (C)	260.	280.	300.	300.	240.
Heat rate (K/min)	2.	5.	2.	2.	4.
Initial hold (min)		1.			2.
Final hold (min)	40.	15.			75.
I	1090.	1104.0	1079.8	1080.4	1078.
Reference	Wu, Kuo, et al., 1991	Shapi and Hesso, 1990	Chang, Sheng, et al., 1989	Chang, Sheng, et al., 1989	Tan, Wilkins, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	SE-30	SE-30	CP Sil 5 CB	CP Sil 5 CB
Column length (m)	0.32	25.	25.	26.	26.
Carrier gas	H2	N2	N2
Substrate
Column diameter (mm)	1.	0.33	0.33	0.32	0.32
Phase thickness (μm)				1.25	1.25
T_start (C)	30.	100.	50.	100.	100.
T_end (C)	180.			250.	250.
Heat rate (K/min)	1.5	6.	10.	10.	10.
Initial hold (min)	5.
Final hold (min)
I	1119.	1092.	1100.	1095.	1097.
Reference	Guichard and Souty, 1988	Korhonen, 1986	Korhonen, 1986	Halket and Schulten, 1985	Halket and Schulten, 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	OV-1	OV-1
Column length (m)	183.	183.
Carrier gas		N2
Substrate
Column diameter (mm)	0.762
Phase thickness (μm)
T_start (C)	0.	0.
T_end (C)	230.	230.
Heat rate (K/min)	1.	1.
Initial hold (min)
Final hold (min)
I	1096.	1096.
Reference	Schreyen, Dirinck, et al., 1976	Schreyen, Dirinck, et al., 1976, 2
Comment	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

Baccouri, Ben Temime, et al., 2007
Baccouri, B.; Ben Temime, S.; Campeol, E.; Cioni, P.L.; Daoud, D.; Zarrouk, M., Application of solid-phase microextraction to the analysis of volatile compounds in virgin olive oils from five new cultivars, Food Chem., 2007, 102, 3, 850-856, https://doi.org/10.1016/j.foodchem.2006.06.012 . [all data]

Cho I.H., Lee S.M., et al., 2007
Cho I.H.; Lee S.M.; Kim S.Y.; Choi H.K.; Kim K.O.; Kim Y.S., Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis, J. Agric. Food Chem., 2007, 55, 6, 2323-2328, https://doi.org/10.1021/jf062702z . [all data]

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Politeo, Jukic, et al., 2007
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Politeo, Jukic, et al., 2007, 2
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Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

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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