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25679-28-1

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Basic Information
CAS No.: 25679-28-1
Name: (Z)-anethole
Article Data: 91
Molecular Structure:
Molecular Structure of 25679-28-1 ((Z)-anethole)
Formula: C10H12 O
Molecular Weight: 148.205
Synonyms: Anisole,p-propenyl-, (Z)- (8CI); Anisole, p-propenyl-, cis- (7CI); Benzene,1-methoxy-4-(1-propenyl)-, (Z)-; Benzene, 1-methoxy-4-(1Z)-1-propenyl- (9CI);(Z)-1-(4-Methoxyphenyl)propene; (Z)-Anethole;cis-1-(p-Methoxyphenyl)-1-propene; cis-1-(p-Methoxyphenyl)propene;cis-4-(1-Propenyl)anisole; cis-Anethole; cis-p-Anethole; cis-p-Methoxy-b-methylstyrene
Density: 0.959g/cm3
Melting Point: -22.5°
Boiling Point: 237.5°Cat760mmHg
Flash Point: 88.4°C
Safety: Poison by ingestion and intraperitoneal routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 9.23000
LogP: 2.72830
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Chemistry

IUPAC Name: 1-methoxy-4-[(Z)-prop-1-enyl]benzene
Empirical Formula: C10H12O
Molecular Weight: 148.20g/mol
Surface Tension: 31.8 dyne/cm
Density: 0.959 g/cm3
Flash Point: 88.4 °C
Boiling Point: 237.5 °C at 760 mmHg
Vapour Pressure: 0.0687 mmHg at 25 °C
Enthalpy of Vaporization: 45.51 kJ/mol 
Canonical SMILES: CC=CC1=CC=C(C=C1)OC
Isomeric SMILES: C/C=C\C1=CC=C(C=C1)OC
InChI: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-
InChIKey: RUVINXPYWBROJD-ARJAWSKDSA-N
Structure of cis-p-Propenylanisole (CAS NO.25679-28-1):

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958.
rat LD50 intraperitoneal 93mg/kg (93mg/kg)   Therapie. Vol. 22, Pg. 309, 1967.
rat LD50 oral 150mg/kg (150mg/kg)   FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 7, 1967.

Safety Profile

Poison by ingestion and intraperitoneal routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
RIDADR: 2811
HazardClass: 6.1(b)
PackingGroup: III 

Specification

  cis-p-Propenylanisole , its cas register number is 25679-28-1. It also can be called (Z)-anethole ; 1-[(Z)-1-Propenyl]-4-methoxybenzene ; 4-[(Z)-1-Propenyl]anisole and cis-p-Propenylanisole .When cis-p-Propenylanisole (CAS NO.25679-28-1) is  heated to decomposition it emits acrid smoke and irritating fumes.