Results for:
PubChem ID: 17004

2-tert-butyl-4-methylphenol

Compound Details

Synonymous names
2-tert-Butyl-4-methylphenol
2409-55-4
2-tert-Butyl-p-cresol
2-(tert-butyl)-4-methylphenol
4-Methyl-2-tert-butylphenol
o-tert-Butyl-p-cresol
p-Cresol, 2-tert-butyl-
2-t-Butyl-p-cresol
4-Methyl-6-t-butylphenol
2-T-BUTYL-4-METHYLPHENOL
2-Terc.butyl-p-kresol
Phenol, 2-(1,1-dimethylethyl)-4-methyl-
4-Methyl-2-t-butylphenol
2-tert-Butyl-4-methyl-1-phenol
1-Hydroxy-2-tert-butyl-4-methylbenzene
2-tert-Butyl-4-methyl-phenol
4-Methyl-2-(1,1-dimethylethyl)phenol
Phenol, (1,1-dimethylethyl)-4-methyl-
NSC 60301
2-(1,1-Dimethylethyl)-4-methylphenol
MFCD00002381
Y9VVU7G7J4
25567-40-2
DTXSID2020212
NSC-60301
DTXCID00212
CAS-2409-55-4
CCRIS 4045
2-terc.Butyl-p-kresol [Czech]
HSDB 5875
EINECS 219-314-6
UNII-Y9VVU7G7J4
BRN 1817645
2-tert-Butyl-4-cresol
mono-tert-butyl-p-cresol
EC 219-314-6
TimTec1_002162
4-06-00-03397 (Beilstein Handbook Reference)
SCHEMBL270433
?2-tert-Butyl-4-methylphenol
2-tertiarybutyl-4-methylphenol
CHEMBL281976
T-BUTYL P-CRESOL [INCI]
HMS1540C06
NSC60301
Phenol,1-dimethylethyl)-4-methyl-
WLN: QR D1 BX1&1&1
EINECS 247-108-6
Tox21_201938
Tox21_303003
2-tert-Butyl-4-methylphenol, 99%
STK367442
AKOS000120238
CS-W016085
MCULE-2818863629
BUTYL-4-METHYLPHENOL, 2-TERT-
2-(1,1-Dimethylethyl)-4-methyl-phenol
NCGC00249138-01
NCGC00249138-02
NCGC00256616-01
NCGC00259487-01
2-T-BUTYL-4-METHYLPHENOL [HSDB]
LS-13987
DB-019858
B0910
NS00004882
EN300-20370
D84620
AB00443915-03
W-107351
BRD-K22403246-001-01-7
Q27294416
F0001-0824
Z104477904
InChI=1/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H
Microorganism:

Yes

IUPAC name2-tert-butyl-4-methylphenol
SMILESCC1=CC(=C(C=C1)O)C(C)(C)C
InchiInChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
FormulaC11H16O
PubChem ID17004
Molweight164.24
LogP3.6
Atoms12
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids

mVOC Specific Details

Boiling Point
DegreeReference
237 °C peer reviewed
Volatilization
The Henry's Law constant for 2-t-butyl-4-methylphenol is estimated as 1.5X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-t-butyl-4-methylphenol will volatilize from water surfaces(2,SRC). 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) is estimated as approximately 31 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 227 days(2,SRC). 2-t-Butyl-4-methylphenol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil may occur(SRC).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 2-t-butyl-4-methylphenol can be estimated to be about 3200(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that 2-t-butyl-4-methylphenol will be immobile in soil(SRC).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno