16797
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
analytical standard
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
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
EC Number:
204-846-3
MDL number:
grade
analytical standard
Quality Segment
assay
≥90.0% (GC)
shelf life
limited shelf life, expiry date on the label
refractive index
n
density
0.93 g/mL at 20 °C (lit.)
application(s)
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
format
neat
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
General description
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is a fragrance compound primarily utilized in personal care products, including cosmetics, shampoos, deodorants, air fresheners, etc. It is a well-known fragrance allergen known to induce allergic contact dermatitis and rashes.
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hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
230.5 °F - closed cup
flash_point_c
110.3 °C - closed cup
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