93192
3-メチル-4-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-3-ブテン-2-オン
odorant used in allergy studies
別名:
α-ケトン, イソメチル-α-イオノン
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この商品について
実験式（ヒル表記法）:
C14H22O
CAS番号:
分子量:
206.32
NACRES:
NA.52
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
204-846-3
MDL number:
製品名
3-メチル-4-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-3-ブテン-2-オン, odorant used in allergy studies
InChI key
JRJBVWJSTHECJK-PKNBQFBNSA-N
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+
SMILES string
CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
grade
Molecular Biology
form
liquid
composition
iso-ɑ-methylionone, ≥85%
iso-β-methylionone, ≤10%
density
0.93 g/mL at 20 °C (lit.)
storage temp.
room temp
Quality Level
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Application
Suitable for
- contact sensitization studies to identify allergens present in cosmetic preparations
- elucidation of molecular pathways related to allergic reactions
- analytical standard
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.
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
保管分類
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
適用法令
試験研究用途を考慮した関連法令を主に挙げております。化学物質以外については、一部の情報のみ提供しています。 製品を安全かつ合法的に使用することは、使用者の義務です。最新情報により修正される場合があります。WEBの反映には時間を要することがあるため、適宜SDSをご参照ください。
第一種指定化学物質
prtr
第4類:引火性液体 + 第三石油類 + 危険等級III + 非水溶性液体
fsl
93192-VAR-F: + 93192-10ML-F: + 93192-BULK-F: + 93192-50ML-F:
jan
Valerie T Politano et al.
International journal of toxicology, 31(6), 595-601 (2013-01-04)
Alpha-iso-methylionone (AIM), a fragrance ingredient, was evaluated for systemic toxicity in rats. Male and female Sprague Dawley rats were administered 0, 5, 30, or 500 mg/kg/d AIM via gavage for 90 days. Statistically significant changes in blood chemistry parameters (reduced
A Lapczynski et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S280-S289 (2007-11-27)
A toxicologic and dermatologic review of alpha-iso-methylionone when used as a fragrance ingredient is presented.
Susumu Ishizaki et al.
Bioscience, biotechnology, and biochemistry, 68(5), 1164-1166 (2004-06-01)
The main biodegradation product of (+/-)-alpha-isomethylionone (2) with standard activated sludge was characterized as (+/-)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)propan-2-one (1) by its analysis and synthesis. Both enantiomers (1a and 1b) of 1 were synthesized by starting from (R)- and (S)-2,4,4-trimethyl-2-cyclohexen-1-ol (3a and 3b), respectively.
Valerie T Politano et al.
International journal of toxicology, 26(3), 271-276 (2007-06-15)
Alpha-iso-methylionone, a widely used fragrance ingredient, was evaluated for developmental toxicity in presumed pregnant Sprague-Dawley rats (25/group). Oral dosages of 0, 3, 10, or 30 mg/kg/day alpha-iso-methylionone in corn oil were administered by gavage on gestational days 7 to 17.
Susun An et al.
Contact dermatitis, 53(6), 320-323 (2005-12-21)
The purpose of this study is to determine the frequency of responses to selected fragrances in patients with suspected fragrance allergy and to evaluate the risk factors. 9 dermatology departments of university hospitals have participated in this study for the
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