Ethyl-2, 2-dimethyl-3-phenylpropanoate

Modify Date: 2025-09-13 12:18:06

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure
Ethyl-2, 2-dimethyl-3-phenylpropanoate structure
Common Name Ethyl-2, 2-dimethyl-3-phenylpropanoate
CAS Number 94800-92-7 Molecular Weight 206.28100
Density 0.99g/cm3 Boiling Point 271.1ºC at 760 mmHg
Molecular Formula C13H18O2 Melting Point N/A
MSDS N/A Flash Point 100.7ºC

 Names

Name Ethyl 2,2-dimethyl-3-phenylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.99g/cm3
Boiling Point 271.1ºC at 760 mmHg
Molecular Formula C13H18O2
Molecular Weight 206.28100
Flash Point 100.7ºC
Exact Mass 206.13100
PSA 26.30000
LogP 2.81840
Index of Refraction 1.494
InChIKey XJJKGOJHTCRWNX-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)(C)Cc1ccccc1

 Safety Information

Hazard Codes Xn
HS Code 2916399090

 Synthetic Route

~70%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Angewandte Chemie - International Edition, , vol. 46, # 27 p. 5178 - 5183

~70%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Murphy, John A.; Zhou, Sheng-Ze; Thomson, Douglas W.; Schoenebeck, Franziska; Mahesh, Mohan; Park, Stuart R.; Tuttle, Tell; Berlouis, Leonard E. A. Angewandte Chemie - International Edition, 2007 , vol. 46, # 27 p. 5178 - 5183

~55%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Hoechst Aktiengesellschaft Patent: US5100887 A1, 1992 ;

~%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Journal of the American Chemical Society, , vol. 62, p. 2459 Journal of the American Chemical Society, , vol. 63, p. 3161

~%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Journal of Organic Chemistry, , vol. 67, # 14 p. 4833 - 4838

~%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Journal of the Chemical Society, , p. 1946,1949

~%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 46, p. 497 Chem. Zentralbl., , vol. 85, # II p. 1269

~%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Tetrahedron, , vol. 48, # 11 p. 2069 - 2080

~%

Ethyl-2, 2-dimethyl-3-phenylpropanoate Structure

Ethyl-2, 2-dime...

CAS#:94800-92-7

Literature: Helvetica Chimica Acta, , vol. 17, p. 669,680

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

ethyl 2,2-dimethyl-3-phenylpropanoate
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