3,3-Dimethylbutyric acid benzyl ester

Modify Date: 2025-09-23 23:06:16

3,3-Dimethylbutyric acid benzyl ester Structure
3,3-Dimethylbutyric acid benzyl ester structure
Common Name 3,3-Dimethylbutyric acid benzyl ester
CAS Number 61066-88-4 Molecular Weight 206.28100
Density 0.99g/cm3 Boiling Point 266.9ºC at 760 mmHg
Molecular Formula C13H18O2 Melting Point N/A
MSDS N/A Flash Point 97.8ºC

 Names

Name benzyl 3,3-dimethylbutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.99g/cm3
Boiling Point 266.9ºC at 760 mmHg
Molecular Formula C13H18O2
Molecular Weight 206.28100
Flash Point 97.8ºC
Exact Mass 206.13100
PSA 26.30000
LogP 3.16600
Index of Refraction 1.494
InChIKey WLTKXQISYPBOSS-UHFFFAOYSA-N
SMILES CC(C)(C)CC(=O)OCc1ccccc1

 Safety Information

HS Code 2915900090

 Synthetic Route

~93%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Asao, Naoki; Lee, Sunyoung; Yamamoto, Yoshinori Tetrahedron Letters, 2003 , vol. 44, # 22 p. 4265 - 4266

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Kowalski, Conrad J.; Fields, Kevin W. Journal of the American Chemical Society, 1982 , vol. 104, # 1 p. 321 - 323

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Ochiai, Masahito; Yoshimura, Akira; Hoque, Md. Mahbubul; Okubo, Takuji; Saito, Motomichi; Miyamoto, Kazunori Organic Letters, 2011 , vol. 13, # 20 p. 5568 - 5571

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Homeyer; Whitmore; Wallingford Journal of the American Chemical Society, 1933 , vol. 55, p. 4209,4212

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Homeyer; Whitmore; Wallingford Journal of the American Chemical Society, 1933 , vol. 55, p. 4209,4212

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Homeyer; Whitmore; Wallingford Journal of the American Chemical Society, 1933 , vol. 55, p. 4209,4212

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Kowalski, Conrad J.; Fields, Kevin W. Journal of the American Chemical Society, 1982 , vol. 104, # 1 p. 321 - 323

~11%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Otera, Junzo; Dan-oh, Nobushisa; Nozaki, Hitosi Journal of Organic Chemistry, 1991 , vol. 56, # 18 p. 5307 - 5311

~%

3,3-Dimethylbutyric acid benzyl ester Structure

3,3-Dimethylbut...

CAS#:61066-88-4

Literature: Homeyer; Whitmore; Wallingford Journal of the American Chemical Society, 1933 , vol. 55, p. 4209,4212 Full Text Show Details Mallinckrodt Chem. Works Patent: US2052995 , 1934 ;

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

Butanoic acid,3,3-dimethyl-,phenylmethyl ester
3,3-Dimethyl-buttersaeure-benzylester
3,3-Dimethylbutyric acid benzyl ester
Benzyl neocaproate
benzyl tert-butylacetate
Benzyl 3,3-dimethylbutyrate
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