Phenol, 4-ethyl-3-methyl-
- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI: InChI=1S/C9H12O/c1-3-8-4-5-9(10)6-7(8)2/h4-6,10H,3H2,1-2H3
- IUPAC Standard InChIKey: BUQNXFUMFXFRKC-UHFFFAOYSA-N
- CAS Registry Number: 1123-94-0
- 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: m-Cresol, 4-ethyl-; 3-Methyl-4-ethylphenol; 4-Ethyl-m-cresol; 4-Ethyl-3-methylphenol
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 502.15 | K | N/A | Karr, Estep, et al., 1961 | Uncertainty assigned by TRC = 3. K |
| Tboil | 502.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 3. K |
| Tboil | 505.65 | K | N/A | Niederl, Niederl, et al., 1937 | Uncertainty assigned by TRC = 3. K |
| Tboil | 502.15 | K | N/A | Von Auwers and Mauss, 1928 | Uncertainty assigned by TRC = 3. K |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 299.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 10. K |
| Tfus | 318.15 | K | N/A | Baddeley, 1944 | Uncertainty assigned by TRC = 4. K |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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
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., CZEC |
| NIST MS number | 72164 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1239. | Ventanas, Estevez, et al., 2008 | 50. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
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]
Niederl, Niederl, et al., 1937
Niederl, J.B.; Niederl, V.; Shapiro, S.; McGreal, M.E.,
J. Am. Chem. Soc., 1937, 59, 1113. [all data]
Von Auwers and Mauss, 1928
Von Auwers, K.; Mauss, W.,
Justus Liebigs Ann. Chem., 1928, 460, 240. [all data]
Baddeley, 1944
Baddeley, G.,
J. Chem. Soc., 1944, 1944, 330. [all data]
Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J.,
Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED,
Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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