CAS 76231-76-0|ALPHA+BETA-THUJONE

Introduction：Basic information about CAS 76231-76-0|ALPHA+BETA-THUJONE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. ALPHA+BETA-THUJONE BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Customs
6. Synonyms

Common Name	ALPHA+BETA-THUJONE
CAS Number	76231-76-0	Molecular Weight	152.23
Density	0.925 g/mL at 25 °C (lit.)	Boiling Point	84-86 °C/17 mmHg (lit.)
Molecular Formula	C₁₀H₁₆O	Melting Point	/
MSDS	ChineseUSA	Flash Point	64°C
Symbol	GHS06, GHS08	Signal Word	Danger

Names

Name	thujone
Synonym	More Synonyms

ALPHA+BETA-THUJONE BiologicalActivity

Description	α,β-Thujone is a component of the essential oils of some plants. α,β-Thujone causes cancers in male rats and induces seizures in the highest doses[1].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Others
References	[1]. National Toxicology Program, et al. Toxicology and carcinogenesis studies of alpha,beta-thujone (CAS No. 76231-76-0) in F344/N rats and B6C3F1 mice (gavage studies). Natl Toxicol Program Tech Rep Ser. 2011, 570.

Chemical & Physical Properties

Density	0.925 g/mL at 25 °C (lit.)
Boiling Point	84-86 °C/17 mmHg (lit.)
Molecular Formula	C₁₀H₁₆O
Molecular Weight	152.23
Flash Point	64°C
Exact Mass	152.12000
PSA	17.07000
LogP	2.25760
InChIKey	USMNOWBWPHYOEA-VWHDNNRLSA-N
SMILES	CC1C(=O)CC2(C(C)C)CC12

Safety Information

Symbol	GHS06, GHS08
Signal Word	Danger
Hazard Statements	H301-H311-H315-H317-H319-H331-H334-H335
Precautionary Statements	P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn
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
HS Code	2914299000

Customs

HS Code	2914299000
Summary	2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Synonyms

alpha,beta-thujone

MFCD00135597

alpha+beta-thujone

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