Benzenemethanol, α-methyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChIKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
- CAS Registry Number: 98-85-1
- 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. - Stereoisomers:
- Other names: Benzyl alcohol, α-methyl-; α-Methylbenzyl alcohol; α-Phenethyl alcohol; α-Phenylethanol; α-Phenylethyl alcohol; (1-Hydroxyethyl)benzene; Ethanol, 1-phenyl-; Methylphenylcarbinol; Phenylmethylcarbinol; Styralyl alcohol; 1-Phenethyl alcohol; 1-Phenyl-1-hydroxyethane; 1-Phenylethanol; 1-Phenylethyl alcohol; sec-Phenethyl alcohol; dl-α-Methylbenzyl alcohol; Methanol, methylphenyl-; NCI-C55685; 1-Fenylethanol; Fenyl-methylkarbinol; Styrallyl alcohol; UN 2937; α-Methylbenzenemethanol; α-Hydroxyethylbenzene; NSC 25502; (S)-α-Methyl-benzenemethanol; alcohol methyl benzylic
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Van Den Dool and Kratz RI, polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | OV-351 | Carbowax 20M |
Column length (m) | 30. | 60. | 60. | 50. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 60. | 45. |
Tend (C) | 200. | 200. | 200. | 220. | 250. |
Heat rate (K/min) | 4. | 4. | 4. | 5. | 2. |
Initial hold (min) | 1. | 1. | 1. | 0.17 | |
Final hold (min) | 10. | 10. | 10. | ||
I | 1820. | 1820. | 1820. | 1773. | 1782. |
Reference | Cho, Namgung, et al., 2008 | Cho, Choi, et al., 2006 | Cho, Choi, et al., 2006 | Bonvehí, 2005 | Verzera, Campisi, 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 | CP-Wax 52CB | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
Tstart (C) | 40. | 45. | 60. | 60. | 35. |
Tend (C) | 210. | 250. | 245. | 245. | 195. |
Heat rate (K/min) | 2. | 2. | 3. | 3. | 2. |
Initial hold (min) | 0.17 | 3. | 3. | 5. | |
Final hold (min) | 40. | 20. | 20. | 90. | |
I | 1785. | 1782. | 1795. | 1795. | 1819. |
Reference | Chyau, Ko, et al., 2003 | Verzera, Campisi, et al., 2001 | Wirth, Guo, et al., 2001 | Wirth, Guo, et al., 2001 | Chung, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | DB-Wax | Carbowax 20M | OV-351 |
Column length (m) | 60. | 30. | 30. | 50. | 25. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.33 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | ||
Tstart (C) | 35. | 50. | 50. | 50. | 100. |
Tend (C) | 195. | 230. | 230. | 200. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 6. |
Initial hold (min) | 5. | 5. | |||
Final hold (min) | 90. | 40. | |||
I | 1818. | 1822. | 1822. | 1791. | 1777. |
Reference | Chung, 1999, 2 | Coen, Engel, et al., 1995 | Coen, Engel, et al., 1995 | Chen, Kuo, et al., 1986 | Korhonen, 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-351 |
Column length (m) | 25. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | 0.33 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 220. |
Heat rate (K/min) | 10. |
Initial hold (min) | |
Final hold (min) | |
I | 1776. |
Reference | Korhonen, 1986 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S.,
Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.),
Food Chem., 2008, 106, 1, 71-76, https://doi.org/10.1016/j.foodchem.2007.05.047
. [all data]
Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S.,
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades,
J. Agric. Food Chem., 2006, 54, 13, 4820-4825, https://doi.org/10.1021/jf0601416
. [all data]
Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
. [all data]
Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M.,
SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]
Chyau, Ko, et al., 2003
Chyau, C.-C.; Ko, P.-T.; Chang, C.-H.; Mau, J.-L.,
Free and glycosidically bound aroma compounds in lychee (Litchi chinensis Sonn.),
Food Chem., 2003, 80, 3, 387-392, https://doi.org/10.1016/S0308-8146(02)00278-9
. [all data]
Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I.,
SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin,
Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]
Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z.,
Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars,
J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Chung, 1999, 2
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a
. [all data]
Coen, Engel, et al., 1995
Coen, M.; Engel, R.; Nahrstedt, A.,
Chavicol β-D-glucoside, a phenylpropanoid heteroside, benzyl-β-D-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis,
Phytochemistry, 1995, 40, 1, 149-155, https://doi.org/10.1016/0031-9422(95)00241-X
. [all data]
Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M.,
Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.),
J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038
. [all data]
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVIII. Benzyl, (±)-1-Phenylethyl and 2-Phenylethyl Alcohols and the Corresponding Esters of Benzoic Acid and Its 2-, 3- and 4-Chloro, Pentafluoro, 4-Nitro and 3,5-Dinitro Derivatives on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 363, 277-292. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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