Results for:
PubChem ID: 335

2-methylphenol

Mass-Spectra

Compound Details

Synonymous names
o-cresol
2-Methylphenol
95-48-7
Orthocresol
2-hydroxytoluene
2-Cresol
Phenol, 2-methyl-
o-methylphenol
o-Cresylic acid
o-Oxytoluene
o-Toluol
1-Hydroxy-2-methylbenzene
ortho-cresol
o-Hydroxytoluene
o-Methylphenylol
o-Kresol
Cresol, ortho-
Cresol, o-
2-Hydroxy-1-methylbenzene
o-Kresol [German]
2-methyl-phenol
Cresol, o-isomer
FEMA No. 3480
1-Methyl-2-hydroxybenzene
NSC 23076
o-Cresol-d3
YW84DH5I7U
DTXSID8021808
CHEBI:28054
2-methyl phenol
MFCD00002226
NSC-23076
NSC-36809
TOLUENE,2-HYDROXY (ORTHO-CRESOL)
o-Cresol [UN2076] [Poison, Corrosive]
2-Methylphenol; o-Cresol
WLN: QR B1
DTXCID901808
hydroxy toluene
CAS-95-48-7
Orthocresol [NF]
CCRIS 646
HSDB 1813
EINECS 202-423-8
UNII-YW84DH5I7U
ortho cresol
Methyl phenol
2-methyiphenol
AI3-00137
JZ0
O-Cresol,(S)
Carvacrol derivative, 9
O-CRESOL [FHFI]
O-CRESOL [INCI]
o-Cresol, >=99%
O-CRESOL [MI]
ORTHOCRESOL [HSDB]
bmse000433
EC 202-423-8
2-Methylphenol (o-cresol)
ortho-cresol,2-methylphenol
SCHEMBL16002
MLS002454426
o-Cresol, analytical standard
BIDD:ER0677
CHEMBL46931
DTXSID00185629
DTXSID40165844
2-Hydroxytoluene; 2-Methylphenol
BDBM248166
HMS2268O24
ORTHOCRESOL [USP IMPURITY]
o-Cresol, for synthesis, 99.3%
2-Methylphenol, analytical standard
NSC23076
NSC36809
Tox21_202305
Tox21_300021
STL194295
o-Cresol, ReagentPlus(R), >=99%
AKOS000119021
MCULE-4124485112
NCGC00091534-01
NCGC00091534-02
NCGC00091534-03
NCGC00091534-04
NCGC00254140-01
NCGC00259854-01
o-Cresol, SAJ first grade, >=97.0%
SMR001252248
2-Methylphenol 100 microg/mL in Methanol
METACRESOL IMPURITY B [EP IMPURITY]
NS00003545
EN300-19429
C01542
Q312708
J-006098
J-523819
F0001-2271
Z104473822
InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H
Microorganism:

Yes

IUPAC name2-methylphenol
SMILESCC1=CC=CC=C1O
InchiInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
FormulaC7H8O
PubChem ID335
Molweight108.14
LogP2
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds alcohols phenols
CHEBI-ID28054
Supernatural-IDSN0317343

mVOC Specific Details

Boiling Point
DegreeReference
191 °C peer reviewed
Volatilization
The Henry's Law constant for o-cresol is 1.2X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that o-cresol 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 approximately 32 days(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 approximately 235 days(SRC). o-Cresol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). o-Cresol may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.18 mm Hg at 25 °C(3).
Soil Adsorption
A Koc of 22 was measured for o-cresol in a Brookston clay loam soil(1). The log Koc of o-cresol in river sediment and coal sediment was reported as 1.7 and 1.75, respectively(2), which correspond to Koc values of 50 and 56(SRC). Based on measured Freundlich isotherms for o-cresol in five different horizon soils (organic content of 0.3 to 0.9%)(3), the Koc ranged from 36 to 240 with an average of 147(SRC). An o-cresol Koc of 246 was determined in batch experiments using a sandy soil with an organic content of 1.5%(4). According to a classification scheme(5), these Koc values indicate that o-cresol is expected to have very high to moderate mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium Roquefortin/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen 2003
EukaryotaPenicillium Brevicompactumcompost Fischer et al. 1999
ProkaryotaCalothrix Sp.n/aNASchulz and Dickschat 2007
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Roqueforti wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibresno
EukaryotaPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
ProkaryotaCalothrix Sp.n/an/ano
EukaryotaPenicillium CommuneMEAGC/MSno