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Merck

8.04778

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

Key Documents

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Product Name

Ionone, for synthesis

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

vapor pressure

0.0013 hPa ( 20 °C)

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

Quality Level

200

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

10 - Combustible liquids

wgk

WGK 2

flash_point_f

242.6 °F

flash_point_c

117 °C

Certificates of Analysis (COA)

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