基本情報
- CAS
31499-72-6- 標準SMILES
CC(=O)CCC1C(C)=CCCC1(C)C- InChIKey
JHJCHCSUEGPIGE-UHFFFAOYSA-N- 分子式
- C13H22O
- 平均分子量
- 194.31 g/mol
- 単同位体質量
- 194.16706532
概要
7,8-Dihydro-alpha-ionone is a sesquiterpenoid.
名称と識別子
- 優先名称
- Dihydro-alpha-ionone
- IUPAC
- 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
- 現地名
- 4-(2,6,6-トリメチル-2-シクロヘキセニル)-2-ブタノン
- 英語名
- DIHYDO-ALPHA-IONONE
- 分子式
- C13H22O
- 分子量
- 194.31
名称と別名
Dihydro-alpha-ionone4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-oneFEMA No. 3628EINECS 250-657-44-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanoneDihydro-.alpha.-ionone2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-alpha-Dihydroionone.alpha.-7,8-DihydroiononeUNII-20P9Z50AR5.alpha.-Dihydroionone4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone
名称をさらに表示
4-(2,6,6-トリメチル-2-シクロヘキセニル)-2-ブタノン4-(2,6,6-トリメチル-2-シクロヘキセニル)ブタン-2-オン4-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブタノンジヒドロ-α-イオノンDIHYDRO ALPHA IONONEFEMA 3628DIHYDRO-(A)-IONONEDIHYDO-ALPHA-IONONE7,8-dihydro-α-ionone7,8-DIHYDRO-ALPHA-IONONEDIHYDO-ALPHA-IONONE USP/EP/BP4-(2,6,6-Trimethyl-2-cyclohexenyl)butan-2-one4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butanon
4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)butan-2-oneAI3-3248120P9Z50AR54-(2,6,6-Trimethyl-2-cyclohexen-1-yl-2-butanoneDTXSID408655992',2''-Dihydro-.alpha.-iononeDIHYDRO-.ALPHA.-IONONE [FHFI]RefChem:133707
物性
構造計算による物性
- XLogP
- 2.8
- 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
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 248
実験および物理化学的性質
FragrancesFragrance Ingredient (Dihydro-alpha-ionone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.919-0.927
Flavoring AgentsEU Flavoring substances
Solubility1 ml in 1 ml 80% alcohol (in ethanol)
Boiling Point234 °C
Refractive Index1.476-1.482
Physical Descriptioncolourless to pale yellow, oily liquid
物理化学的性質
- 沸点
- 90 °C0.1 · 90 °C0.1 mm Hg(lit.)
- 比重(密度)
- 0.922 g/mL · 0.922 g/mL at 20 °C(lit.)
- 蒸気圧
- 1.83 · 1.83-35.4Pa at 20-50℃
- 屈折率
- 20 · n20/D 1.477
- FEMA
- 3628 · 3628 | DIHYDRO-ALPHA-IONONE
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
This chemical does not meet GHS hazard criteria for 85.9% (237 of 276) of all reports.
Warning
H315 (14.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 276 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Status: Active Update: 19-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23272
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (14.1%)
安全データ
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EM0535000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
化学と産業
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE
応用分野
天然物の起源Reported found in blackberry, raspberry, tea, peach and green tea.
調製方法
製造方法By partial hydrogenation of α-ionone.
上流・下流製品情報
上流原料
サプライヤー9 社
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
深圳市创鑫生物科技有限公司
関連反応
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化合物ノート
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