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

Modify Date: 2024-01-29 21:37:35

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

 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