Benzenemethanol, 4-(1,1-dimethylethyl)-, 1-acetate

HCID 105421CAS 67364-88-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OCc1ccc(C(C)(C)C)cc1
InChIKey
QSCOAHKJRIJKQZ-UHFFFAOYSA-N
Molecular formula
C13H18O2
Average molar mass
206.28 g/mol
Monoisotopic mass
206.13067982

Names & identifiers

Preferred name
Benzenemethanol, 4-(1,1-dimethylethyl)-, 1-acetate
IUPAC
(4-tert-butylphenyl)methyl acetate
English name
p-(tert-butyl)benzyl acetate
Molecular formula
C13H18O2
Molecular weight
206.28

Names & synonyms

67364-88-9EINECS 266-669-8Benzenemethanol, 4-(1,1-dimethylethyl)-, acetateAcetic acid, p-(tert-butyl)benzyl esterBenzenemethanol, 4-(1,1-dimethylethyl)-, 1-acetateDTXSID20886828RefChem:117672DTXCID901026147p-(tert-Butyl)benzyl acetate(4-tert-butylphenyl)methyl acetate4-tert-butylbenzyl acetate4-(tert-Butyl)benzyl acetate
Show more names
Acetic acid 4-tert-butylbenzyl ester1-(Acetoxymethyl)-4-tert-butylbenzene4-(1,1-Dimethylethyl)benzenemethanol acetate
p-tert.-butylbenzyl acetateSCHEMBL2092731SCHEMBL3363931SCHEMBL8972017AKOS024322551HS-4251NS00054319

Database identifiers

CAS
67364-88-9
PubChem CID
105421
DTXSID
DTXSID20886828
EC Number
266-669-8
Nikkaji
J310.237H

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

EPA Substance Registry System
4 · Benzenemethanol, 4-(1,1-dimethylethyl)-, acetate (67364-88-9)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanol, 4-(1,1-dimethylethyl)-, 1-acetate: ACTIVE

Upstream & downstream products

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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