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93192

α-Cetone

odorant used in allergy studies

Synonym(s):

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, α-Cetone, Isomethyl-α-ionone

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Pack SizeSKUAvailabilityPrice
10 mL
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$49.50
$42.07

About This Item

Empirical Formula (Hill Notation):
C14H22O
CAS Number:
Molecular Weight:
206.32
NACRES:
NA.52
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
204-846-3
MDL number:

$42.07

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grade

Molecular Biology

Quality Segment

form

liquid

composition

iso-ɑ-methylionone, ≥85% , iso-β-methylionone, ≤10%

density

0.93 g/mL at 20 °C (lit.)

storage temp.

room temp

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 fragrant sensitizer added frequently to deodorants and perfumes. It is one of the allergens responsible for axillary dermatitis.[1]

Application

Suitable for
  • contact sensitization studies to identify allergens present in cosmetic preparations
  • elucidation of molecular pathways related to allergic reactions
  • analytical standard

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This Item
1679703642W259403
grade

Molecular Biology

grade

analytical standard

grade

analytical standard

grade

Fragrance grade, Halal, Kosher

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

300, 400

form

liquid

form

-

form

-

form

-

storage temp.

room temp

storage temp.

-

storage temp.

-

storage temp.

-

composition

iso-ɑ-methylionone, ≥85% , iso-β-methylionone, ≤10%

composition

-

composition

-

composition

-

density

0.93 g/mL at 20 °C (lit.)

density

0.93 g/mL at 20 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)


pictograms

Environment

hcodes

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

ppe

Eyeshields, Gloves



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Global Trade Item Number

SKUGTIN
93192-50ML-F04061836846213
93192-10ML-F04061836846206

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