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

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Names

[ CAS No. ]:
55764-28-8

[ Name ]:
S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate

[Synonym ]:
EINECS 259-802-6
ISOVALERIC ACID,THIO-,S-2,5-DIMETHYL-3-FURYL ESTER
FEMA No. 3482
2,5-Dimethyl-3-thioisovalerylfuran

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

Related Compounds

3-(2,5-dimethyl-3-furyl)-3-oxopropanenitrile
Bis(2,5-dimethyl-3-furyl)disulfide
1-(2,5-dimethyl-3-furyl)ethanamine
1-(2,5-dimethyl-[3]furyl)-propan-1-one semicarbazone
p-hydroxyphenyl 2,5-dimethyl-3-furyl ketone
(1E)-1-(2,5-Dimethyl-3-furyl)-N-hydroxyethanimine