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Home >> Chemical Listing >> Page 2930 >> 2,2-Dimethyl-1-[4-(methylsulfanyl)phenyl]-1-butanone

2,2-Dimethyl-1-[4-(methylsulfanyl)phenyl]-1-butanone
[CAS# 898765-31-6]

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Identification
Name 2,2-Dimethyl-1-[4-(methylsulfanyl)phenyl]-1-butanone
Synonyms 2,2-dimethyl-4'-thiomethylbutyrophenone
Molecular Structure CAS#: 898765-31-6, 2,2-Dimethyl-1-[4-(methylsulfanyl)phenyl]-1-butanone
Molecular Formula C13H18OS
Molecular Weight 222.35
CAS Registry Number 898765-31-6
SMILES CSc1ccc(cc1)C(=O)C(C)(C)CC
InChI 1S/C13H18OS/c1-5-13(2,3)12(14)10-6-8-11(15-4)9-7-10/h6-9H,5H2,1-4H3
InChIKey CKRTZRDRIZZJAU-UHFFFAOYSA-N
Properties
Density 1.028g/cm3 (Cal.)
Boiling point 330.496°C at 760 mmHg (Cal.)
Flash point 160.714°C (Cal.)
Refractive index 1.534 (Cal.)
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