基本情報
- CAS
13674-19-6- 標準SMILES
CC(C)C1CCC(CO)CC1- InChIKey
KHWTYGFHPHRQMP-UHFFFAOYSA-N- 分子式
- C10H20O
- 平均分子量
- 156.26 g/mol
- 単同位体質量
- 156.15141526
概要
fragrance ingredient; structure in first source
名称と識別子
- 優先名称
- p-Menthan-7-ol
- IUPAC
- (4-propan-2-ylcyclohexyl)methanol
- 現地名
- (1α,4α)-p-メンタン-7-オール
- 英語名
- cis-4-Isopropylcyclohexylmethanol
- 分子式
- C10H20O
- 分子量
- 156.27
名称と別名
5502-75-0p-MENTHAN-7-OL4-ISOPROPYLCYCLOHEXYLMETHANOLMayolMuguet shiseol4-(1-methylethyl)cyclohexanemethanol(4-propan-2-ylcyclohexyl)methanol4-isopropylcyclohexanemethanolFEMA No. 45074-(1-methylethyl)cyclohexylmethanolCyclohexanemethanol, 4-(1-methylethyl)-3ZDD1967ZE
名称をさらに表示
(1α,4α)-p-メンタン-7-オールcis-p-メンタン-7-オール4α-イソプロピル-1α-シクロヘキサンメタノールマイオール（cis-4-イソプロピルシクロヘキシル）メタノールLILYTOLMAYOL, FIRMENICHEinecs 237-539-8cis-p-Menthan-7-olcis-muguet shiseol(cis)-p-Methan-7-olp-Methan-7-ol, (cis)-(1α,4α)-p-Menthan-7-ol4α-Isopropyl-1α-cyclohexanemethanolcis-4-(Isopropyl)cyclohexanmethanol
4-(isopropyl)cyclohexanemethanolRefChem:5340813828-37-0(4-Isopropylcyclohexyl)methanolCIS-4-ISOPROPYLCYCLOHEXYLMETHANOLCyclohexanemethanol, 4-(1-methylethyl)-, cis-trans-p-Menthan-7-ol13674-19-6
物性
構造計算による物性
- XLogP
- 3
- 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
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 101
実験および物理化学的性質
Fragrances
Fragrance substance (cis,trans-4-(Isopropyl)cyclohexanemethanol) -> IFRA amendment 49
Fragrance Ingredient (cis-4-(Isopropyl)cyclohexanemethanol) -> IFRA transparency List
Fragrance Ingredient (p-Menthan-7-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.912-0.920 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point215-217 °C
Refractive Index1.466-1.471
Physical Description
Liquid; CBI
Clear colourless liquid; Fresh clean floral magnolia to grassy aroma
物理化学的性質
- 沸点
- 223.7 · 223.7±8.0 °C(Predicted)
- 比重(密度)
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
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 95.2% (1535 of 1612) of all reports.
Not Classified
Aggregated GHS information provided per 1612 reports by companies from 5 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Cyclohexanemethanol, 4-(1-methylethyl)-
Chemical: Cyclohexanemethanol, 4-(1-methylethyl)-, cis-
Cyclohexanemethanol, 4-(1-methylethyl)-, cis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanemethanol, 4-(1-methylethyl)-, cis- 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)
REACH registered substance: Reaction Mass of Cis-4-(isopropyl)cyclohexanemethanol and Trans-4-(isopropyl)cyclohexanemethanol (EC: 939-719-8)
Cyclohexanemethanol, 4-(1-methylethyl)-, cis-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Skin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
cis,trans-4-(Isopropyl)cyclohexanemethanol
4-(1-methylethyl)-cyclohexanemethanol; (4-propan-2-ylcyclohexyl)methanol; 4-Isopropylcyclohexylmethanol; (4-Isopropylcyclohexyl)methanol; Reaction mass of trans-4-(isopropyl)cyclohexanemethanol and cis-4-(isopropyl)cyclohexanemethanol; cis-4-(Isopropyl)cyclohexanemethanol; trans-4-(Isopropyl)cyclohexanemethanol; Cyclohexanemethanol, 4-(1-methylethyl)-, cis; Cyclohexanemethanol, 4-(1-methylethyl)-, trans; p-Menthan-7-ol; cis-p-Menthan-7-ol; trans-p-Menthan-7-ol; Mayol (commercial name); Meijiff (commercial name)
IFRA_STD_208.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
Household ProductsInformation on 15 consumer products that contain P-Menthan-7-Ol in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Plastics Material and Resin Manufacturing
Cyclohexanemethanol, 4-(1-methylethyl)-, cis-: ACTIVE
Restriction Limits in the Finished Product (%)
0.25 [Products applied to the lips]
0.39 [Products applied to the axillae]
0.099 [Products applied to the face/body using fingertips]
4.7 [Products related to fine fragrances]
1.2 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.15 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
関連反応
2 件
化合物ノート
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