8.04778

Ionone

for synthesis

• Synonym(s): Ionone
• Empirical Formula (Hill Notation): C₁₃H₂₀O
• CAS Number: 8013-90-9
• Molecular Weight: 192.30
• MDL number: MFCD00001565
• UNSPSC Code: 12352115
• EC Index Number: 232-396-8
• NACRES: NA.22
• Form: liquid

Properties

• vapor pressure: 0.0013 hPa ( 20 °C)
• Quality Segment: 200
• form: liquid
• potency: 4590 mg/kg LD₅₀, oral (Rat)
• bp: 237 °C/1013 hPa
• transition temp: flash point 117 °C
• density: 0.93 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O=C(C)\C=C\C1C(CCC=C1C)(C)C
• InChI: 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
• InChI key: UZFLPKAIBPNNCA-BQYQJAHWSA-N

Description

Application

Ionone for synthesis. CAS 8013-90-9, molar mass 192.3 g/mol.

Analysis Note

Sum α- und β – Isomers (GC): ≥ 90.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.929 - 0.935
Identity (IR): passes test

Safety Information

• Storage Class: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point (°F): 242.6 °F - closed cup
• Flash Point (°C): 117 °C - closed cup