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529-38-4

529-38-4 structure

529-38-4 structure

Name: COCAETHYLENE
Chemical Name: ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Number: 529-38-4
Molecular Formula: C₁₈H₂₃NO₄
Molecular Weight: 317.38000
Create Date: 2017-06-13 13:56:32
Modify Date: 2025-08-24 17:43:33

Name	ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms	Homococaine cocaethylene Homocaine Ethyl benzoylecgonine Cocaethyline Ethylcocaine Benzoylethylecgonin benzoylecgonine ethyl ester

Density	1.2g/cm3
Boiling Point	408.8ºC at 760mmHg
Melting Point	109ºC
Molecular Formula	C₁₈H₂₃NO₄
Molecular Weight	317.38000
Flash Point	201ºC
Exact Mass	317.16300
PSA	55.84000
LogP	2.19570
Index of Refraction	1.562

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CL5602980

CHEMICAL NAME :: 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R-(exo,exo))-

CAS REGISTRY NUMBER :: 529-38-4

BEILSTEIN REFERENCE NO. :: 6117763

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H23-N-O4

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 :: 60700 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PBBHAU Pharmacology, Biochemistry and Behavior. (ANKHO International Inc., P.O. Box 426, Fayetteville, NY 13066) V.1- 1973- Volume(issue)/page/year: 39,531,1991

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T,Xn,F
Risk Phrases	25-36-20/21/22-11
Safety Phrases	45-36/37-16
RIDADR	UN 2811 6.1/PG 3
RTECS	CL5602980
HS Code	2933990090

Precursor 3
75-03-6 519-09-5 64-17-5
DownStream 0

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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