S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate

Modify Date: 2025-08-22 16:23:50

S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate Structure
S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate structure
 Common Name S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate
CAS Number 55764-28-8 Molecular Weight 212.30900
Density 1.07 g/cm3 Boiling Point 277ºC at 760 mmHg
Molecular Formula C11H16O2S Melting Point N/A
MSDS N/A Flash Point 121.3ºC

 Names

Name S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.07 g/cm3
Boiling Point 277ºC at 760 mmHg
Molecular Formula C11H16O2S
Molecular Weight 212.30900
Flash Point 121.3ºC
Exact Mass 212.08700
PSA 55.51000
LogP 3.56120
Index of Refraction 1.514
InChIKey XFNLWIPNTYNNJX-UHFFFAOYSA-N
SMILES Cc1cc(SC(=O)CC(C)C)c(C)o1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1515000
CHEMICAL NAME :
Isovaleric acid, thio-, S-2,5-dimethyl-3-furyl ester
CAS REGISTRY NUMBER :
55764-28-8
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-O2-S
MOLECULAR WEIGHT :
212.33
WISWESSER LINE NOTATION :
T5OJ B1 CSV1Y1&1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
625 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980

 Synonyms

EINECS 259-802-6
ISOVALERIC ACID,THIO-,S-2,5-DIMETHYL-3-FURYL ESTER
FEMA No. 3482
2,5-Dimethyl-3-thioisovalerylfuran
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Chemsrc provides CAS#:55764-28-8 MSDS, density, melting point, boiling point, structure, etc. Its name is S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate>> amp version: S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate

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