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339-16-2

339-16-2 structure
339-16-2 structure
  • Name: Retinoic acid, methyl ester
  • Chemical Name: methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
  • CAS Number: 339-16-2
  • Molecular Formula: C21H30O2
  • Molecular Weight: 314.46200
  • Create Date: 2016-03-25 00:25:04
  • Modify Date: 2024-01-13 15:32:59

Name methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Synonyms Vitamin A acid methyl ester
Retinoic acid,methyl ester,all-trans
all-trans-Methylretinoate
Methyl retinoate
Ro 4-3781
all-trans-retinoic acid methyl ester
Retinoic acid,methyl ester
Methyl all-trans-retinoate
Density 0.975g/cm3
Boiling Point 426.1ºC at 760mmHg
Melting Point 66-68 °C
Molecular Formula C21H30O2
Molecular Weight 314.46200
Flash Point 229.8ºC
Exact Mass 314.22500
PSA 26.30000
LogP 5.69100
Index of Refraction 1.534
Storage condition -20°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH6570000
CHEMICAL NAME :
Retinoic acid, methyl ester
CAS REGISTRY NUMBER :
339-16-2
BEILSTEIN REFERENCE NO. :
2059353
LAST UPDATED :
199703
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H30-O2
MOLECULAR WEIGHT :
314.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2128462
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 18,213,1984