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Key Documents

Safety Information

8.04778

Sigma-Aldrich

Ionone

for synthesis

Synonym(s):

Ionone

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About This Item

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

vapor pressure

0.0013 hPa ( 20 °C)

Quality Level

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

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

242.6 °F

Flash Point(C)

117 °C

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

Certificates of Analysis (COA)

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