Orcinol
- Formula: C7H8O2
- Molecular weight: 124.1372
- IUPAC Standard InChI: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
- IUPAC Standard InChIKey: OIPPWFOQEKKFEE-UHFFFAOYSA-N
- CAS Registry Number: 504-15-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 3,5-Dihydroxytoluene; Resorcinol, 5-methyl-; Orcin; 1,3-Dihydroxy-5-methylbenzene; 3-Hydroxy-5-methylphenol; 5-Methyl-1,3-benzenediol; 5-Methylresorcin; 5-Methylresorcinol; 1,3-Benzenediol, 5-methyl-; 3,5-Toluenediol; Orcine; 5-Methyl-1,3-dihydroxybenzene; NSC 12441; Dihydroxytoluene; Methylresorcinol
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 562.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 24.59 ± 0.84 | kcal/mol | ME | Ribeiro da Silva and Lobo Ferreira, 2009 | Based on data from 322. to 338. K.; AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 18.3 | 417. | A,GC | Stephenson and Malanowski, 1987 | Based on data from 402. to 468. K. See also Kundel, Lille, et al., 1975.; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 24.5 ± 0.2 | 330. | ME | Ribeiro da Silva and Lobo Ferreira, 2009 | Based on data from 322. to 338. K.; AC |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 352831 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Lang (edtor), 1975 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 19010 |
| Instrument | Unicam SP 800 |
| Melting point | 108-110 |
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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1378.1 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1369. | Stojanovic, RAdulovic, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Ribeiro da Silva and Lobo Ferreira, 2009
Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.,
Experimental standard molar enthalpies of formation of some methylbenzenediol isomers,
The Journal of Chemical Thermodynamics, 2009, 41, 10, 1096-1103, https://doi.org/10.1016/j.jct.2009.04.015
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Kundel, Lille, et al., 1975
Kundel, H.; Lille, U.; Kaidas, N.,
Tr. Tallin. Politekh. Inst., 1975, 390, 107. [all data]
Lang (edtor), 1975
Lang (edtor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1975, 20, 113. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Stojanovic, RAdulovic, et al., 2011
Stojanovic, I.Z.; RAdulovic, N.S.; Mitrovic, Y.L.J.; Stamenkovic, S.M.; Stojanovic, G.S.,
Volatile constituents of selected Parmeliaceae lichens,
J. Serb. Chem. Soc., 2011, 76, 7, 987-994, https://doi.org/10.2298/JSC101004087S
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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