CAS:1756-31-6 / 1-(3,5-di-tert-butylphenyl)ethanone--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 1756-31-6
1-(3,5-di-tert-butylphenyl)ethanone

Structure
Name: 1-(3,5-di-tert-butylphenyl)ethanone
Synonyms:

General Information

Product Number: 1756316

CAS Registry Number: 1756-31-6

Name:

Ethanone, 1-[3,5-bis(1,1-dimethylethyl)phenyl]-

Acetophenone, 3',5'-di-tert-butyl- (6CI,7CI,8CI); 1-(3,5-Di-tert-butylphenyl)ethanone; 3,5-Di-tert-Butylphenylethanone; 3,5-Di-tert-butylacetophenone; 3',5'-Di-tert-butylacetophenone

Chemical Formula: C16H24O

Exact Mass: 232.18

Molecular Weight: 232.36

m/z: 232.18 (100.0%), 233.19 (17.6%), 234.19 (1.7%)

Elemental Analysis: C, 82.70; H, 10.41; O, 6.89

InChI: InChI=1S/C16H24O/c1-11(17)12-8-13(15(2,3)4)10-14(9-12)16(5,6)7/h8-10H,1-7H3

InChIKey: WZSMQEXDKGEYOW-UHFFFAOYSA-N

Canonical SMILES : CC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Thermal Properties	Value	Condition	Note
Melting Point	39.0 °C		(2)CAS
Melting Point	38.5-39.5 °C		(3)CAS

Specification

98%

References

(1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(2) NL 95923 1960 CAPLUS
(3) Burgstahler, Albert W.; Journal of the American Chemical Society 1964, V86(23), P5281-90 CAPLUS
(4) Peddibhotla, Satyamaheshwar; Journal of Medicinal Chemistry 2010, V53(12), P4793-4797 CAPLUS

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