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Product Name: (+)-3-Thujone
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471-15-8

471-15-8 structure

471-15-8 structure

Name: (+)-3-Thujone
Chemical Name: (+)-β-thujone
CAS Number: 471-15-8
Molecular Formula: C₂₀H₃₂O₂
Molecular Weight: 304.46700
Create Date: 2018-08-26 11:55:14
Modify Date: 2025-08-25 12:29:45

Name	(+)-β-thujone
Synonyms	(+)-beta-thujone Thujone trans Thujone cis D-isothujone (+)-(1S,4S,5R)-thujan-3-one (+)-Isothujon THUJONE (E)-Thujone cis-Thujone trans-Thujone (Z)-thujone

Density	1.009g/cm3
Boiling Point	200.5ºC at 760 mmHg
Molecular Formula	C₂₀H₃₂O₂
Molecular Weight	304.46700
Flash Point	64.4ºC
Exact Mass	304.24000
PSA	34.14000
LogP	4.51520
Vapour Pressure	0.323mmHg at 25°C
Index of Refraction	1.499

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XO9630000

CHEMICAL NAME :: 3-Thujanone, (1S,4S,5R)-(+)-

CAS REGISTRY NUMBER :: 471-15-8

LAST UPDATED :: 199707

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H16-O

MOLECULAR WEIGHT :: 152.26

WISWESSER LINE NOTATION :: L35 EVTJ AY1&1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 442 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,1054,1976

Risk Phrases	23/24/25-36/37/38-42/43
Safety Phrases	23-26-36/37/39-45
RIDADR	UN 2810 6.1/PG 3

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