5-(2-methylsulfanylphenyl)-5-oxopentanoic acid

Modify Date: 2025-11-29 10:38:24

5-(2-methylsulfanylphenyl)-5-oxopentanoic acid Structure
5-(2-methylsulfanylphenyl)-5-oxopentanoic acid structure
Common Name 5-(2-methylsulfanylphenyl)-5-oxopentanoic acid
CAS Number 930116-83-9 Molecular Weight 238.30300
Density 1.22g/cm3 Boiling Point 434.6ºC at 760 mmHg
Molecular Formula C12H14O3S Melting Point N/A
MSDS N/A Flash Point 216.6ºC

 Names

Name 5-(2-methylsulfanylphenyl)-5-oxopentanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.22g/cm3
Boiling Point 434.6ºC at 760 mmHg
Molecular Formula C12H14O3S
Molecular Weight 238.30300
Flash Point 216.6ºC
Exact Mass 238.06600
PSA 79.67000
LogP 2.84610
Index of Refraction 1.577
InChIKey VKIQIMWABFPHRI-UHFFFAOYSA-N
SMILES CSc1ccccc1C(=O)CCCC(=O)O

 Safety Information

HS Code 2930909090

 Synthetic Route

~59%

5-(2-methylsulfanylphenyl)-5-oxopentanoic acid Structure

5-(2-methylsulf...

CAS#:930116-83-9

Literature: Kooistra, Floris B.; Knol, Joop; Kastenberg, Fredrik; Popescu, Lacramioara M.; Verhees, Wiljan J. H.; Kroon, Jan M.; Hummelen, Jan C. Organic Letters, 2007 , vol. 9, # 4 p. 551 - 554

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

5-(2-(Methylthio)phenyl)-5-oxovaleric acid
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