Benzoic acid,1,1-dimethylethyl ester

Modify Date: 2025-08-27 13:10:36

Benzoic acid,1,1-dimethylethyl ester Structure
Benzoic acid,1,1-dimethylethyl ester structure
Common Name Benzoic acid,1,1-dimethylethyl ester
CAS Number 774-65-2 Molecular Weight 178.22800
Density 1 g/cm3 Boiling Point 54ºC / 1mmHg
Molecular Formula C11H14O2 Melting Point N/A
MSDS N/A Flash Point 100.4ºC

 Names

Name tert-butyl benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1 g/cm3
Boiling Point 54ºC / 1mmHg
Molecular Formula C11H14O2
Molecular Weight 178.22800
Flash Point 100.4ºC
Exact Mass 178.09900
PSA 26.30000
LogP 2.64190
Index of Refraction 1.498
InChIKey LYDRKKWPKKEMNZ-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)c1ccccc1

 Safety Information

Safety Phrases S24/25
HS Code 2916310090

 Synthetic Route

 Customs

HS Code 2916310090
Summary 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

 Benzoic acid,1,1-dimethylethyl esterBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

Trimethylcarbinol benzoate
EINECS 212-267-2
1,1-Dimethylethyl benzoate
Benzoic acid tert-butyl ester
MFCD00048244
benzoic acid t-butyl ester
Benzoic acid 1,1-dimethylethyl ester
tert.-Butyl benzoate
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