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2883-98-9

Basic Information
CAS No.: 2883-98-9
Name: alpha-Asarone
Article Data: 29
Molecular Structure:
Molecular Structure of 2883-98-9 (alpha-Asarone)
Formula: C12H16O3
Molecular Weight: 208.257
Synonyms: Benzene,1,2,4-trimethoxy-5-(1-propenyl)-, (E)-;Benzene, 1,2,4-trimethoxy-5-propenyl-,(E)- (8CI);Isoasaron (6CI);Asaron;Asarone;Asarum camphor;trans-Asarone;trans-Isoasaron;trans-Isoasarone;a-Asaron;
EINECS: 220-743-6
Density: 1.028 g/cm3
Melting Point: 57-61 °C(lit.)
Boiling Point: 296 °C at 760 mmHg
Flash Point: 107.7 °C
Appearance: monoclinic needles from water
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22-24/25
PSA: 27.69000
LogP: 2.74550
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Chemistry

Molecular structure of alpha-Asarone (CAS NO.2883-98-9) is:

Product Name: alpha-Asarone
CAS Registry Number: 2883-98-9
IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
Molecular Weight: 208.25364 [g/mol]
Molecular Formula: C12H16O3
XLogP3: 3
H-Bond Donor: 0
H-Bond Acceptor: 3  
EINECS: 220-743-6
Storage temp: -20°C
Melting point: 57-61°C
Surface Tension: 31.6 dyne/cm
Density: 1.028 g/cm3
Flash Point: 107.7 °C
Enthalpy of Vaporization: 51.43 kJ/mol
Boiling Point: 296 °C at 760 mmHg
Vapour Pressure: 0.0026 mmHg at 25°C
Product Categories: Aromatic Ethers

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 750mg/kg (750mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 310mg/kg (310mg/kg)   Farmakologiya i Toksikologiya Vol. 48(6), Pg. 17, 1985.
mouse LD50 oral 418mg/kg (418mg/kg)   Farmakologiya i Toksikologiya Vol. 48(6), Pg. 17, 1985.
mouse LD50 unreported 176mg/kg (176mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 767, 1980.
mouse LDLo intravenous 66mg/kg (66mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 23, Pg. 52, 1988.

Safety Profile

Moderately toxic by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: HarmfulXn
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DC2975000

Specification

 alpha-Asarone , its cas register number is 2883-98-9. It also can be called trans-1-Propenyl-2,4,5-trimethoxybenzene ;(E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene ; Asaron ; Asarone ; Asarum camphor ; trans-Isoasaron .It is monoclinic needles from water.