Phenol, 2-ethyl-6-methyl-
- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI: InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
- IUPAC Standard InChIKey: CIRRFAQIWQFQSS-UHFFFAOYSA-N
- CAS Registry Number: 1687-64-5
- 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: o-Cresol, 6-ethyl-; 2-Ethyl-6-methylphenol; 6-Ethyl-o-cresol
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 486.15 | K | N/A | Karr, Estep, et al., 1961 | Uncertainty assigned by TRC = 3. K |
| Tboil | 486.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 3. K |
| Tboil | 486.15 | K | N/A | Von Auwers, Bundesmann, et al., 1926 | Uncertainty assigned by TRC = 3. K |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | J.MACAK, DEP. GAS COKE TECH., PRAGUE INST. CHEM. TECH., CZECes |
| NIST MS number | 72165 |
Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1236. | El-Ghorab, Fadel, et al., 2002 | 25. m/0.22 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1236. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1236. | Robinson, Adams, et al., 2012 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PEG-20M | 2170. | Yao, Guo, et al., 2005 | 60. C @ 10. min, 3. K/min, 180. C @ 30. min; Column length: 30. m; Column diameter: 0.25 mm |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Karr, Estep, et al., 1961
Karr, C.; Estep, P.A.; Chang, T.-C.L.; Comberiati, H.R.,
, U. S. Bur. Mines, Bull. 591, 1961. [all data]
Karr, 1957
Karr, C.,
, U. S. Bur. Mines, Inform. Circ. IC 7802, 1957. [all data]
Von Auwers, Bundesmann, et al., 1926
Von Auwers, K.; Bundesmann, H.; Wieners, F.,
Justus Liebigs Ann. Chem., 1926, 447, 162. [all data]
El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F.,
The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity,
Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085
. [all data]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Yao, Guo, et al., 2005
Yao, S.-S.; Guo, W.-F.; Lu, Y.; Jiang, Y.-X.,
Flavor Characteristics of Lapsang Souchong and Smoked Lapsang Souchong, a Special Chinese Black Tea with Pine Smoking Process,
J. Agric. Food Chem., 2005, 53, 22, 8688-8693, https://doi.org/10.1021/jf058059i
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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