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

2,2-Dimethyl-1-[2-(methylsulfanyl)phenyl]-1-butanone
[CAS# 898765-28-1]

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Identification
Name 2,2-Dimethyl-1-[2-(methylsulfanyl)phenyl]-1-butanone
Synonyms 2,2-dimethyl-2'-thiomethylbutyrophenone
Molecular Structure CAS#: 898765-28-1, 2,2-Dimethyl-1-[2-(methylsulfanyl)phenyl]-1-butanone
Molecular Formula C13H18OS
Molecular Weight 222.35
CAS Registry Number 898765-28-1
SMILES CSc1ccccc1C(=O)C(C)(C)CC
InChI 1S/C13H18OS/c1-5-13(2,3)12(14)10-8-6-7-9-11(10)15-4/h6-9H,5H2,1-4H3
InChIKey PCAQAYJCAPMOCZ-UHFFFAOYSA-N
Properties
Density 1.028g/cm3 (Cal.)
Boiling point 311.069°C at 760 mmHg (Cal.)
Flash point 143.975°C (Cal.)
Refractive index 1.534 (Cal.)
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