Results for:
PubChem ID: 460

2-methoxyphenol

Mass-Spectra

Compound Details

Synonymous names
guaiacol
2-Methoxyphenol
90-05-1
o-Methoxyphenol
2-Hydroxyanisole
Guaiastil
Pyroguaiac acid
o-Guaiacol
o-Hydroxyanisole
Pyrocatechol monomethyl ether
Phenol, 2-methoxy-
1-Hydroxy-2-methoxybenzene
Anastil
Guaicol
Phenol, o-methoxy-
Methylcatechol
Guaicolina
Guajol
Guasol
O-Methyl catechol
Catechol monomethyl ether
Creodon
Guajakol
8021-39-4
2-Methoxy-Phenol
Methoxyphenol
Guajacol
Wood creosote
CREOSOTE, WOOD
FEMA No. 2532
Guaiacol (natural)
Pyrocatechol methyl ester
(mu)-methoxyphenol
Guaiacol [JAN]
NSC 3815
Methylcatachol
CCRIS 2943
9009-62-5
HSDB 4241
2-methoxyl-4-vinylphenol
UNII-6JKA7MAH9C
o--methoxyphenol
6JKA7MAH9C
2-methoxy phenol
NSC-3815
EINECS 201-964-7
MFCD00002185
Guaiacol (JAN)
Creodon (TN)
2-Methoxyphenol-3,4,5,6-d4,OD
CHEBI:28591
AI3-05615
Catechol mono methyl ether
2-methoxyphenol (guaiacol)
2-Methoxy-d3-phenol--d4
CHEMBL13766
DTXSID0023113
EC 201-964-7
Phenol, methoxy-
NCGC00090827-02
NCGC00090827-04
GUAIACOL (MART.)
GUAIACOL [MART.]
GUAIACOL (USP-RS)
GUAIACOL [USP-RS]
Guajakol [Czech]
DTXCID003113
GUAIACOL (EP MONOGRAPH)
GUAIACOL (USP IMPURITY)
GUAIACOL [EP MONOGRAPH]
GUAIACOL [USP IMPURITY]
ortho-Guaiacol
Catechol, Methyl
CAS-90-05-1
2-Hydroxy-Anisole
GUAIFENESIN IMPURITY A (EP IMPURITY)
GUAIFENESIN IMPURITY A [EP IMPURITY]
Guaiacol [JAN:NF]
SR-01000838056
Guaiacol (2-Methoxyphenol)
guiacol
Creasote
methoxy phenol
6-methoxyphenol
hydroxyl anisole
O-methylcatechol
o-Guiacol
orthomethoxyphenol
o-methoxy-Phenol
2-Methyloxyphenol
ortho-methoxyphenol
Guaiacol,(S)
JZ3
2-(methyloxy)phenol
O-HYDROXYANIOSOLE
GUAIACOL [FHFI]
GUAIACOL [HSDB]
GUAIACOL [MI]
GUAIACOL [VANDF]
O-METHOXY CATECHOL
DSSTox_CID_3113
bmse000436
bmse010027
GUAIACOL [WHO-DD]
Guaiacol, puriss., 99%
WLN: QR BO1
DSSTox_RID_77552
3-methoxy-4-hydroxy benzene
DSSTox_GSID_24853
SCHEMBL21626
ghl.PD_Mitscher_leg0.900
guaiacol (liquid) extra pure
Guaiacol, oxidation indicator
FEMA No 2532
MLS001055375
NSC3815
Guaiacol, natural, >=99%, FG
HMS2089D18
HMS2233P04
HMS3372N11
HMS3715E11
Pharmakon1600-01506165
BCP27082
CS-D1347
HY-N1380
STR03604
Tox21_111031
Tox21_201136
Tox21_202990
Tox21_400004
BDBM50240369
NSC760376
s3872
STL281868
AKOS000118831
CCG-214035
DB11359
MCULE-5627336368
NSC-760376
PB43791
PS-3252
Guaiacol, SAJ first grade, >=98.0%
NCGC00090827-01
NCGC00090827-03
NCGC00090827-05
NCGC00090827-06
NCGC00090827-07
NCGC00258688-01
NCGC00260535-01
AC-34997
Guaiacol, Vetec(TM) reagent grade, 98%
SMR000059155
SY048708
CAS-8021-39-4
DB-024854
M0121
NS00010812
EN300-19498
C01502
D00117
F70227
2-Methoxyphenol;o-Methoxyphenol;2-Hydroxyanisole
AB00876226-06
AB00876226_07
A843426
Q412403
Q-100002
SR-01000838056-2
SR-01000838056-3
F2173-0425
Guaiacol, European Pharmacopoeia (EP) Reference Standard
Z104474028
Guaiacol, United States Pharmacopeia (USP) Reference Standard
InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H
Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC name2-methoxyphenol
SMILESCOC1=CC=CC=C1O
InchiInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
FormulaC7H8O2
PubChem ID460
Molweight124.14
LogP1.3
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalcohols aromatic compounds ethers benzenoids phenols
CHEBI-ID28591
Supernatural-IDSN0205438

mVOC Specific Details

Boiling Point
DegreeReference
203 °C peer reviewed
Volatilization
The Henry's Law constant for o-methoxyphenol is as 1.2X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that o-methoxyphenol 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 34 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 251 days(SRC). o-Methoxyphenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). o-Methoxyphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Sagebiel JC et al; Chemosphere 25: 1763-68 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Verschueren K; Handbook of Environmental Data of Organic Chemicals. 2nd ed. New York, NY: Van Nostrand Reinhold Co., p. 435 (1983)
Soil Adsorption
A log Koc of 1.60 for o-methoxyphenol, corresponding to a Koc of 40(SRC), was experimentally determined in a Brookston clay loam soil(1). A log Koc of 1.56(2), corresponding to a Koc of 36(SRC) has also been reported. According to a classification scheme(3), these Koc values suggest that o-methoxyphenol is expected to have very high mobility in soil. The pKa of o-methoxyphenol is 9.98(4), indicating that this compound will exist primarily in the undissociated form in the environment(SRC). The adsorption of the phenol occurrs by hydrogen bonding to sites on soil surfaces; ortho-substitution generally results in decreased adsorption compared to para-substitution due to steric hindrance(1).
Literature: (1) Boyd SA; Soil Sci 134: 337-43 (1982) (2) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006). Supporting information. Predicition of the sorption of organic compounds into soil organic matter from molecular structure. Available from, as of Dec 22, 2009: http//pub.acs.org (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Pearce PJ, Simkins RJJ; Can J Chem 46: 241-8 (1968)
Vapor Pressure
PressureReference
0.103 mm Hg 25 deg CVerschueren, K. Handbook of Environmental Data of Organic Chemicals. 2nd ed. New York, NY: Van Nostrand Reinhold Co., 1983., p. 435
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus VelezensisNARiu et al. 2022
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Velezensissterile soilSPME/GC-MSno
ProkaryotaEscherichia Colirocket lysateHS-SPME/GC-MSno
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno