基本情報
- CAS
31798-12-6- 標準SMILES
CC(=O)C=CC1C(C)=CCCC1(C)C- InChIKey
UZFLPKAIBPNNCA-UHFFFAOYSA-N- 分子式
- C13H20O
- 平均分子量
- 192.3 g/mol
- 単同位体質量
- 192.15141526
概要
See also: Alpha-Ionone (annotation moved to).
名称と識別子
- 優先名称
- Ionone
- IUPAC
- 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
名称と別名
DTXSID7044477IrisoneQP734LIN1KRefChem:1087416CHEBI:49248DTXCID30809689232-396-8939-953-08013-90-9Ionone.alpha.-Ionone31798-12-6
名称をさらに表示
SCHEMBL112671UZFLPKAIBPNNCA-UHFFFAOYSA-N(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-oneNS000792894-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
データベース識別子
- CAS
31798-12-6、6901-97-9、8013-90-9- PubChem CID
- 24680
- DTXSID
DTXSID7044477- EC Number
- 232-396-8、250-812-6、939-953-0
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 282
実験および物理化学的性質
FragrancesFragrance Ingredient (Ionone (mixed isomers)) -> IFRA transparency List
Physical DescriptionLiquid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
H411 (> 99.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1647 reports by companies from 6 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ionone
Ionone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ionone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Ionone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ionones: Human health tier II assessment
Hazard Classes and Categories
Aquatic Chronic 2 (> 99.9%)
Aquatic Chronic 2 (100%)
Skin irritation - category 2
Self-reactive substances and mixtures - Type G
化学と産業
用途と製造
U.S. Production2023: 22,360 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 39 consumer products that contain Ionone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ionone: ACTIVE
関連反応
0 件
現在のフィルター条件では反応記録がありません。
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