8.00429

trans-Anethole

for synthesis

• Synonym(s): trans-Anethole, 1-(4-Methoxyphenyl)-1-propene, 4-Propenylanisole, 1-Methoxy-4-propenylbenzene
• Empirical Formula (Hill Notation): C₁₀H₁₂O
• CAS Number: 4180-23-8
• Molecular Weight: 148.20
• UNSPSC Code: 12352112
• EC Index Number: 224-052-0
• NACRES: NA.22
• MDL number: MFCD00009284
• Assay: ≥98.0% (GC)
• Form: liquid

Properties

• vapor pressure: 1.33 hPa ( 63 °C)
• Quality Segment: 200
• assay: ≥98.0% (GC)
• form: liquid
• potency: 2090 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• pH: 7 ( in H₂O)
• bp: 235-237 °C/1013 hPa
• mp: 21-23 °C
• transition temp: flash point 96 °C
• density: 0.99 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(C)c1ccc(cc1)\C=C\C
• InChI: 1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
• InChI key: RUVINXPYWBROJD-ONEGZZNKSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.987 - 0.989
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H317 - H411
• pcodes: P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Aquatic Chronic 2 - Skin Sens. 1
• Storage Class: 10 - Combustible liquids
• wgk: WGK 2
• flash_point_f: 213.8 °F
• flash_point_c: 101 °C