Results for:
PubChem ID: 6643

4-(2-methylbutan-2-yl)phenol

Compound Details

Synonymous names
4-tert-Amylphenol
80-46-6
4-tert-Pentylphenol
p-tert-Pentylphenol
p-tert-Amylphenol
4-t-Amylphenol
4-(2-methylbutan-2-yl)phenol
4-(1,1-DIMETHYLPROPYL)PHENOL
Pentaphen
Amilphenol
Amilfenol
tert-Amylphenol
Ptap
Phenol, 4-(1,1-dimethylpropyl)-
Amyl phenol 4T
Phenol, p-tert-pentyl-
Ucar amyl phenol 4T
p-t-Pentylphenol
p-(1,1-Dimethylpropyl)phenol
4-(tert-pentyl)phenol
2-Methyl-2-p-hydroxyphenylbutane
4-(1,1-Dimethylpropyl)-1-phenol
1-Hydroxy-4-(1,1-dimethylpropyl)benzene
4-t-pentylphenol
Phenol, p-(tert-pentyl)-
MFCD00002369
NSC 403672
6NP9LYK846
CHEMBL195693
DTXSID8021771
CHEBI:35096
NSC-403672
NCGC00091655-02
p-(.alpha.,.alpha.-Dimethylpropyl)phenol
Phenol,1-dimethylpropyl)-
para-tert-Amylphenol
DTXCID001771
Caswell No. 050
WLN: QR D1X1&1&1
p-t-amylphenol
CAS-80-46-6
CCRIS 4693
p-(tert-Amyl)phenol
HSDB 5236
EINECS 201-280-9
p-(alpha,alpha-Dimethylpropyl)phenol
EPA Pesticide Chemical Code 064101
AMYLPHENOL, P-TERT-
BRN 1908224
UNII-6NP9LYK846
p-tertamylphenol
AI3-00460
p-t-Amyl phenol
Nipacide PTAP
Pentaphen 67
Para-tertiary amylphenol
4-tert-Amylphenol, 99%
EC 201-280-9
AMYLPHENOL [MART.]
SCHEMBL49704
4-06-00-03383 (Beilstein Handbook Reference)
MLS002152935
BIDD:ER0210
NRZWYNLTFLDQQX-UHFFFAOYSA-
NSC4965
P-TERT-PENTYLPHENOL [MI]
p-(1,1-Dimethyl propyl) phenol
4-(1,1-Dimethyl-propyl)-phenol
HMS3039M10
NSC-4965
Tox21_111159
Tox21_202351
Tox21_300088
BDBM50410536
NSC403672
AKOS000119604
Tox21_111159_1
4-tert-Amylphenol, analytical standard
MCULE-4223490735
4-(1,1-DIMETHYLPROPYL)-PHENOL
1-Hydroxy-4-(2-methyl-2-butyl)benzene
NCGC00091655-01
NCGC00091655-03
NCGC00091655-04
NCGC00091655-05
NCGC00254041-01
NCGC00259900-01
AC-16506
SMR001224530
DB-000247
A0460
AM20041188
CS-0152629
NS00004107
4-(1,1-DIMETHYLPROPYL)PHENOL [HSDB]
EN300-20303
A24574
E76129
P-(1,1-Dimethylpropyl)phenoL;Para-tert-amylphenol
W-109280
Q26840951
Z104477686
InChI=1/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
Microorganism:

Yes

IUPAC name4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)C1=CC=C(C=C1)O
InchiInChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
FormulaC11H16O
PubChem ID6643
Molweight164.24
LogP3.9
Atoms12
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds phenols alkylphenols
CHEBI-ID35096
Supernatural-IDSN0253707

mVOC Specific Details

Boiling Point
DegreeReference
262.5 °C peer reviewed
Volatilization
The Henry's Law constant for 4-(1,1-dimethylpropyl)phenol is estimated as 2.0X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.00X10-3 mm Hg(1), and water solubility, 1.68X10+2 mg/L(2). This Henry's Law constant indicates that 4-(1,1-dimethylpropyl)phenol is expected to volatilize from water surfaces(3). 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)(3) is estimated as 18 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)(3) is estimated as 140 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 87 months if adsorption is considered(4). 4-(1,1-Dimethylpropyl)phenol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-(1,1-Dimethylpropyl)phenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of 4-(1,1-dimethylpropyl)phenol is estimated as 3.7X10+3(SRC), using a log Kow of 4.03(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-(1,1-dimethylpropyl)phenol is expected to have slight mobility in soil.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAMellors et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9TD/GCxGC-MSno