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Key Documents

78707

Supelco

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

reference material

Synonym(s):

α-Cetone, Isomethyl-α-ionone

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About This Item

Empirical Formula (Hill Notation):
C14H22O
CAS Number:
Molecular Weight:
206.32
EC Number:
MDL number:
UNSPSC Code:
41116107

grade

reference material

Quality Level

assay

≥85.0% (GC)

shelf life

limited shelf life, expiry date on the label

concentration

≤10.0% (iso-β-Methylionone)

density

0.93 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

shipped in

wet ice

storage temp.

−20°C

SMILES string

CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C

InChI

1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+

InChI key

JRJBVWJSTHECJK-PKNBQFBNSA-N

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General description

This reference material (RM) is produced and certified in accordance with ISO/IEC 17025. This RM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

pictograms

Environment

hcodes

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

230.5 °F - closed cup

flash_point_c

110.3 °C - closed cup


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