forsynthesis , 8013-90-9

Synonym(s):
Ionone

CAS NO.：8013-90-9

Empirical Formula: C13H20O

Molecular Weight: 192.3

MDL number: MFCD00167092

EINECS: 232-396-8

PRODUCT Properties

• Boiling point: 288.3°C (rough estimate)
• Density: 0.9275 (rough estimate)
• vapor pressure: 0.0013 hPa ( 20 °C)
• refractive index: 1.5200 (estimate)
• FEMA: 2595 | BETA-IONONE
• storage temp.: Store below +30°C.
• form: liquid
• Odor: at 10.00 % in dipropylene glycol. violet sweet floral woody
• Odor Type: floral
• Cosmetics Ingredients Functions: FRAGRANCE; ASTRINGENT; PERFUMING
• 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+
• InChIKey: UZFLPKAIBPNNCA-BQYQJAHWSA-N
• SMILES: O=C(C)\C=C\C1C(CCC=C1C)(C)C
• LogP: 4.100
• CAS DataBase Reference: 8013-90-9(CAS DataBase Reference)
• NIST Chemistry Reference: Ionone(8013-90-9)
• EPA Substance Registry System: Ionone (8013-90-9)

Description and Uses

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

Safety

• Symbol(GHS): GHS09
• Hazard statements: H411
• WGK Germany: WGK 2
• RTECS: NO0700000
• TSCA: TSCA listed
• Storage Class: 10 - Combustible liquids
• Toxicity: The acute oral LD₅₀ value in rats was reported as 4.59 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The ip LD₅₀ value in mice was reported as 2.27 g/kg