methyl 3-benzylsulfanyl-2-methyl-propanoate

Modify Date: 2025-09-18 15:19:54

methyl 3-benzylsulfanyl-2-methyl-propanoate Structure
methyl 3-benzylsulfanyl-2-methyl-propanoate structure
Common Name methyl 3-benzylsulfanyl-2-methyl-propanoate
CAS Number 5331-04-4 Molecular Weight 224.31900
Density 1.088g/cm3 Boiling Point 318.1ºC at 760 mmHg
Molecular Formula C12H16O2S Melting Point N/A
MSDS N/A Flash Point 143.4ºC

 Names

Name methyl 3-benzylsulfanyl-2-methylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.088g/cm3
Boiling Point 318.1ºC at 760 mmHg
Molecular Formula C12H16O2S
Molecular Weight 224.31900
Flash Point 143.4ºC
Exact Mass 224.08700
PSA 51.60000
LogP 2.72890
Index of Refraction 1.533
InChIKey VIAAAKCYRCELPR-UHFFFAOYSA-N
SMILES COC(=O)C(C)CSCc1ccccc1

 Safety Information

HS Code 2930909090

 Synthetic Route

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methyl 3-benzylsulfanyl-2-methyl-propanoate Structure

methyl 3-benzyl...

CAS#:5331-04-4

Literature: Hurd; Gershbein Journal of the American Chemical Society, 1947 , vol. 69, p. 2328,2330

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methyl 3-benzylsulfanyl-2-methyl-propanoate Structure

methyl 3-benzyl...

CAS#:5331-04-4

Literature: Yelm, Kenneth E. Tetrahedron Letters, 1999 , vol. 40, # 6 p. 1101 - 1102

 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

methyl 3-(benzylthio)-2-methylpropanoate
methyl 3-(benzylsulfanyl)-2-methylpropanoate
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