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CAS Number: 14035-33-7
1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone

Structure

1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone
Name: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone
Synonyms:
General Information
Product Number: 14035337
CAS Registry Number: 14035-33-7
Name:
        Ethanone, 1-​[3,​5-​bis(1,​1-​dimethylethyl)​-​4-​hydroxyphenyl]​-
        Acetophenone, 3',​5'-​di-​tert-​butyl-​4'-​hydroxy- (6CI,​7CI,​8CI); 2,​6-​Di-​tert-​butyl-​4-​acetylphenol; 3,​5-​Di-​tert-​butyl-​4-​hydroxyphenyl methyl ketone; 3',​5'-​Di-​tert-​butyl-​4'-​hydroxyacetophenone; 4-​Acetyl-​2,​6-​di-​tert-​butylphenol; 4'-​Hydroxy-​3',​5'-​di-​tert-​butylacetophenone 
 
Chemical Formula: C16H24O2
Exact Mass: 248.18
Molecular Weight: 248.36
m/z: 248.18 (100.0%), 249.18 (17.7%), 250.18 (1.8%)
Elemental Analysis: C, 77.38; H, 9.74; O, 12.88
 
InChI: InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3
InChIKey: WGJPGMJLARWHRK-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
 
Thermal Properties Value Condition Note
Melting Point 148-149 °C Solv: ligroine (8032-32-4) (2)IC
Melting Point 148 °C Solv: ligroine (8032-32-4) (3)CAS
Melting Point 146-147 °C   (4)CAS
Melting Point 141-143 °C   (5)IC

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Suda, Hiroshi; Kanazawa Daigaku Kogakubu Kiyo 1982, V15(1), P71-4 CAPLUS
  3. (3) Hey, M. E.; Journal of the Chemical Society 1955, P2753-5 CAPLUS
  4. (4) Portnykh, N. V.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1966, (12), P2243-4 CAPLUS
  5. (5) Gandel'sman, L. Z.; Ukrainskii Khimicheskii Zhurnal (Russian Edition) 1986, V52(4), P405-6 CAPLUS
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