Results for:
PubChem ID: 342

3-methylphenol

Mass-Spectra

Compound Details

Synonymous names
m-cresol
3-methylphenol
108-39-4
Metacresol
Phenol, 3-methyl-
meta-cresol
3-cresol
3-hydroxytoluene
m-methylphenol
m-kresol
m-cresylic acid
1-hydroxy-3-methylbenzene
m-oxytoluene
m-toluol
m-Hydroxytoluene
meta-cresylic acid
1-Methyl-3-hydroxybenzene
Cresol, m-
FEMA No. 3530
hydroxy-3-methylbenzene
CRESOL, META
m-cresylic
m-Cresole
3-methyl-1-hydroxybenzene
NSC 8768
GGO4Y809LO
CHEMBL298312
DTXSID6024200
CHEBI:17231
NSC-8768
m-Cresol, 99%
TOLUENE,3-HYDROXY (META-CRESOL)
Franklin Cresolis
Metacresol (3-Methylphenol)
CRS
m-Kresol [German]
DTXCID804200
Rover's Dog Shampoo
Caswell No. 261A
meta cresol
3-methyl phenol
Cresol, m-isomer
CAS-108-39-4
CCRIS 645
HSDB 1815
Metacresol [USP:BAN]
EINECS 203-577-9
Metacresol; 3-Methylphenol; Amylmetacresol Impurity B
UNII-GGO4Y809LO
EPA Pesticide Chemical Code 022102
3methylphenol
AI3-00136
3-methyl-phenol
Cresol,m-
m-Cresol;
Celcure Dry Mix (chemicals for wood preserving)
Metacresol (USP)
METACRESOL [II]
M-CRESOL [INCI]
METACRESOL [HSDB]
bmse000350
EC 203-577-9
M-CRESOL [WHO-DD]
METACRESOL [USP-RS]
WLN: QR C1
SCHEMBL10736
m-Cresol, analytical standard
m-Cresol, >=98%, FG
SCHEMBL7410931
m-Cresol, for synthesis, 99%
m-Cresol, reagent grade, 97%
METACRESOL [EP IMPURITY]
DTXSID00165845
DTXSID10194060
METACRESOL [EP MONOGRAPH]
METACRESOL [USP IMPURITY]
NSC8768
METACRESOL [USP MONOGRAPH]
3-Methylphenol, analytical standard
Tox21_201941
Tox21_302645
2-TERT-BUTYL-5-METHYL PHENO
BDBM50008548
MFCD00002302
STL185666
AKOS000119006
AM62795
CCG-230271
DB01776
MCULE-6836106503
NCGC00159366-02
NCGC00159366-03
NCGC00159366-04
NCGC00159366-05
NCGC00159366-06
NCGC00256824-01
NCGC00259490-01
AC-14350
BS-23591
m-Cresol, SAJ first grade, >=97.0%
3-Methylphenol 100 microg/mL in Methanol
m-Cresol [UN2076] [Poison, Corrosive]
NS00010658
EN300-19428
AMYLMETACRESOL IMPURITY B [EP IMPURITY]
C01467
D04951
A801870
Q312240
J-002137
J-521679
F0001-0167
Z104473820
Metacresol, United States Pharmacopeia (USP) Reference Standard
InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H
Microorganism:

Yes

IUPAC name3-methylphenol
SMILESCC1=CC(=CC=C1)O
InchiInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
FormulaC7H8O
PubChem ID342
Molweight108.14
LogP2
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds alcohols phenols
CHEBI-ID17231
Supernatural-IDSN0328855

mVOC Specific Details

Boiling Point
DegreeReference
202.2 °C peer reviewed
Volatilization
The Henry's Law constant for propionaldehyde is 7.34X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that propionaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 11 hrs(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5.8 days(SRC). Propionaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 317 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of propionaldehyde is estimated as 50(SRC), using a log Kow of 0.59(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionaldehyde is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 6 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
317 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAHewett et al. 2020
EukaryotaTrichoderma VirideNAMoisan et al. 2021
EukaryotaAmpelomyces Sp.nanaNaznin et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaTrichoderma Viride1/5th PDA mediumGC-MSno
EukaryotaAmpelomyces Sp.naSPME-GC/MSno