Results for:
PubChem ID: 2879

4-methylphenol

Compound Details

Synonymous names
4-methylphenol
P-CRESOL
106-44-5
4-Cresol
4-Hydroxytoluene
p-Methylphenol
para-Cresol
Phenol, 4-methyl-
p-Hydroxytoluene
p-Tolyl alcohol
p-Kresol
p-Oxytoluene
p-Toluol
p-Cresylic acid
1-Hydroxy-4-methylbenzene
Paracresol
p-Methylhydroxybenzene
1-Methyl-4-hydroxybenzene
Paramethyl phenol
para-Cresylic acid
4-methyl phenol
Cresol, para-
Cresol, p-
p-Kresol [German]
Cresol, p-isomer
FEMA No. 2337
CRESOL, PARA
p-Methyl phenol
4-methyl-phenol
4-methylphenol (p-cresol)
NSC 3696
MFCD00002376
1MXY2UM8NV
CHEMBL16645
DTXSID7021869
CHEBI:17847
NSC-3696
NCGC00091519-04
TOLUENE,4-HYDROXY (PARA-CRESOL)
p-Cresol [UN2076] [Poison, Corrosive]
DSSTox_CID_1869
DTXCID101869
CAS-106-44-5
CCRIS 647
HSDB 1814
EINECS 203-398-6
UNII-1MXY2UM8NV
para cresol
p-Cresylate
p-methyl-phenol
AI3-00150
?p-Cresol
Cresol,p-
Phenol, 4-methyI
p-Cresol, 99%
Spectrum_000850
p-Cresol, High Purity
P-CRESOL [FHFI]
P-CRESOL [HSDB]
P-CRESOL [INCI]
Spectrum2_000765
Spectrum4_001740
Spectrum5_000540
P-CRESOL [MI]
SCHEMBL375
bmse000458
EC 203-398-6
DSSTox_RID_77380
DSSTox_RID_77554
NCIOpen2_001516
WLN: QR D1
DSSTox_GSID_24364
DSSTox_GSID_24858
KBioGR_002160
KBioSS_001330
p-Cresol, analytical standard
BIDD:ER0010
DivK1c_000381
SPECTRUM1500209
p-Cresol, >=99%, FG
SPBio_000810
SCHEMBL7812506
SGCUT00097
HMS501D03
KBio1_000381
KBio2_001330
KBio2_003898
KBio2_006466
DTXSID30236875
DTXSID40185628
NSC3696
PARACRESOL [USP IMPURITY]
NINDS_000381
HMS1920A16
HMS2091I04
Pharmakon1600-01500209
p-Cresol, for synthesis, 98.0%
4-Methylphenol, analytical standard
NSC95259
to_000033
Tox21_113240
Tox21_113445
Tox21_200402
Tox21_201115
Tox21_300029
BDBM50008543
CCG-38990
NSC-95259
NSC756709
STL183323
AKOS000119005
Tox21_113445_1
DB01688
MCULE-2287247927
IDI1_000381
NCGC00013272-01
NCGC00091519-01
NCGC00091519-02
NCGC00091519-03
NCGC00091519-05
NCGC00091519-06
NCGC00091519-07
NCGC00091519-09
NCGC00253980-01
NCGC00257956-01
NCGC00258667-01
4-Methylphenol 10 microg/mL in Methanol
PS-11958
CAS-1319-77-3
p-Cresol, JIS special grade, >=99.0%
SBI-0051322.P003
METACRESOL IMPURITY C [EP IMPURITY]
NS00008242
4-Methylphenol 100 microg/mL in Cyclohexane
EN300-19427
p-Cresol, puriss. p.a., >=99.0% (GC)
AMYLMETACRESOL IMPURITY D [EP IMPURITY]
C01468
AB00051955_02
Q312251
SR-05000002037
J-001591
J-515803
SR-05000002037-1
F1908-0066
Z104473818
InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H
2876-02-0
Microorganism:

Yes

IUPAC name4-methylphenol
SMILESCC1=CC=C(C=C1)O
InchiInChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
FormulaC7H8O
PubChem ID2879
Molweight108.14
LogP1.9
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds phenols alkylphenols
CHEBI-ID17847
Supernatural-IDSN0156844

mVOC Specific Details

Boiling Point
DegreeReference
201.9 °C peer reviewed
Volatilization
The Henry's Law constant for p-cresol is 1.0X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that p-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 38 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 281 days(SRC). p-Cresol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). p-Cresol may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.11 mm Hg at 25 °C(3).
Soil Adsorption
A Koc of 49 was measured for o-cresol in a Brookston clay loam soil using OECD Guideline 106(1). Based on measured Freundlich isotherms for p-cresol in five different horizon soils (organic content of 0.3 to 0.9%)(2), the Koc ranged from 27 to 251 with an average of 173(SRC). Other reported Koc values include a Koc of 500 in soil and 645 in a sediment(3). According to a classification scheme(4), these Koc values indicate that p-cresol is expected to have very high to moderate mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
EukaryotaPhoma Sp.nanaNaznin et al. 2014
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
ProkaryotaClostridium Difficilenastool specimens, from patients infected with clostridium difficileKuppusami et al. 2015
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
EukaryotaPhoma Sp.naSPME-GC/MSno
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaClostridium Difficilebrain heart infusion agar with 7% horse bloodPTR-ToF-MSno
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno