Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1-acetate

HCID 84404CAS 14387-17-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
UJQUIYGYEMWYBS-UHFFFAOYSA-N
Molecular formula
C17H26O3
Average molar mass
278.4 g/mol
Monoisotopic mass
278.18819469

Names & identifiers

Preferred name
Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1-acetate
IUPAC
(3,5-ditert-butyl-4-hydroxyphenyl)methyl acetate
English name
3,5-di-tert-butyl-4-hydroxybenzyl acetate
Molecular formula
C17H26O3
Molecular weight
278.39

Names & synonyms

3,5-Di-tert-butyl-4-hydroxybenzyl acetate14387-17-8PDY4WFX2LZNSC-35974DTXSID90162565RefChem:1078516DTXCID8085056Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1-acetate238-357-1(3,5-ditert-butyl-4-hydroxyphenyl)methyl acetateNSC35974EINECS 238-357-1
Show more names
3,5-Di-t-butyl-4-hydroxybenzyl acetate, propofolAcetic acid 3,5-di-tert-butyl-4-hydroxybenzyl ester3,5-Di-t-butyl-4-hydroxybenzyl acetate, propofol impurity3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol 1-acetate
UNII-PDY4WFX2LZOprea1_133619SCHEMBL931514SCHEMBL6473822(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)METHYL ACETATENSC 35974STK3697004-acetoxymethyl-2,6-di-t-butylphenol

Database identifiers

CAS
14387-17-8
PubChem CID
84404
DTXSID
DTXSID90162565
UNII
PDY4WFX2LZ
EC Number
238-357-1
Nikkaji
J216.997E

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20

Physicochemical properties

FDA UNII
4 WFX2LZ · PDY4WFX2LZ

Chemistry & industry

Upstream & downstream products

Suppliers5 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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