基本情報
- CAS
67634-03-1- 標準SMILES
CC(C)C1CCC(C(C)CO)CC1- InChIKey
XZAQOBPFWUNKMM-UHFFFAOYSA-N- 分子式
- C12H24O
- 平均分子量
- 184.32 g/mol
- 単同位体質量
- 184.18271539
名称と識別子
- 優先名称
- Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-
- IUPAC
- 2-(4-propan-2-ylcyclohexyl)propan-1-ol
- 現地名
- β-メチル-4-(1-メチルエチル)シクロヘキサンエタノール
- 英語名
- 4-(isopropyl)-beta-methylcyclohexaneethanol
- 分子式
- C12H24O
- 分子量
- 184.32
名称と別名
Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-EINECS 266-806-1Cyclohexaneethanol, .beta.-methyl-4-(1-methylethyl)-RefChem:58056067634-03-12-(4-propan-2-ylcyclohexyl)propan-1-ol4-(Isopropyl)-beta-methylcyclohexaneethanol2-[4-(propan-2-yl)cyclohexyl]propan-1-ol2-(4-ISOPROPYLCYCLOHEXYL)PROPAN-1-OLSCHEMBL9496745DTXSID3052355XZAQOBPFWUNKMM-UHFFFAOYSA-N
名称をさらに表示
β-メチル-4-(1-メチルエチル)シクロヘキサンエタノールβ-Methyl-4-(1-methylethyl)cyclohexaneethanol4-(Isopropyl)-.beta.-methylcyclohexanethanolCyclohexaneethanol, β-methyl-4-(1-methylethyl)-
NS00012751
データベース識別子
- CAS
67634-03-1- PubChem CID
- 106731
- DTXSID
DTXSID3052355- EC Number
- 266-806-1
- Nikkaji
- J333.240C
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 134
実験および物理化学的性質
FragrancesFragrance Ingredient (4-(Isopropyl)-.beta.-methylcyclohexanethanol) -> IFRA transparency List
物理化学的性質
- 化粧品成分の機能
- 香料
- LogP
- 4.053 · 4.053 (est)
- EPAの化学物質情報
- -4 · Cyclohexaneethanol, .beta.-methyl-4-(1-methylethyl)- (67634-03-1)
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 87.6% (78 of 89) of all reports.
Warning
H319 (12.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationChemical: Cyclohexaneethanol, .beta.-methyl-4-(1-methylethyl)-
Other Safety InformationIMAP assessments - Cyclohexaneethanol, .beta.-methyl-4-(1-methylethyl)-: Human health tier I assessment
Hazard Classes and CategoriesEye Irrit. 2 (12.4%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
IFRA Fragrance Standards
4-(Isopropyl)-.beta.-methylcyclohexanethanol
2-(4-Isopropylcyclohexyl)propan-1-ol; Cyclohexaneethanol, .β.-methyl-4-(1-methylethyl)-; Rodipol C (Commercial name)
IFRA_STD_209.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexaneethanol, .beta.-methyl-4-(1-methylethyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.26 [Products applied to the lips]
0.39 [Products applied to the axillae]
0.26 [Products applied to the face/body using fingertips]
6.4 [Products related to fine fragrances]
0.52 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.26 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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