CAS 1193-81-3 1-Cyclohexylethanol (HCID 137829)

名称と識別子

優先名称: 1-Cyclohexylethanol
IUPAC: 1-cyclohexylethanol
現地名: α-メチルシクロヘキサンメタノール
英語名: 1-Cyclohexylethanol
分子式: C8H16O
分子量: 128.21

名称と別名

1-Cyclohexylethanol1193-81-3Cyclohexanemethanol, alpha-methyl-Cyclohexanemethanol, .alpha.-methyl-alpha-MethylcyclohexanemethanolDTXSID7047643EINECS 214-780-7G247D91I97UNII-G247D91I97NSC 9476NSC-9476NSC 44898

名称をさらに表示

α-メチルシクロヘキサンメタノール1-シクロヘキシルエタノール1-Cyclohexylethan-1-olα-MethylcyclohexanemethanolNsc9476CYCLOHEXANEETHANOL1-Cyclohexyl-1-ethanolEthanol, 1-cyclohexyl-CYCLOHEXYLMETHYLCARBINOLMethylcyclohexylcarbinol1-CYCLOHEXYLETHANOL 98+%

NSC-44898AI3-36516DTXCID5027643FEMA NO. 4794RefChem:75500CYCLOHEXANEMETHANOL, (+-)-1-CYCLOHEXYLETHANOL, (+-)-METHYLCYCLOHEXYLCARBINOL, (+-)-

データベース識別子

CAS: 1193-81-3
PubChem CID: 137829
DTXSID: DTXSID7047643
ChEMBL: CHEMBL3186998
UNII: G247D91I97
EC Number: 214-780-7
Nikkaji: J138.306J

物性

構造計算による物性

XLogP: 2.3
極性表面積: 20.2 Å²
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: 1
重原子数: 9
形式電荷: 0
複雑度: 74.6

実験および物理化学的性質

FragrancesFragrance Ingredient (1-Cyclohexylethanol) -> IFRA transparency List

物理化学的性質

融点: 140 °C · 140 °C
沸点: 189 °C · 189 °C (lit.)
比重(密度): 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
蒸気圧: 36.8 Pa · 36.8Pa at 24℃
屈折率: 20 · n20/D 1.465(lit.)
FEMA: 4794 · 4794 | (+/-)-1-CYCLOHEXYLETHANOL
闪点: 163 °F · 163 °F
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 15.24 · 15.24±0.20(Predicted)
臭い (Odor): クリーンでフレッシュな香り
水溶解度: 5.163 g/L · 5.163g/L at 24℃
JECFA Number: 2221 · 2221
BRN: 2322053 · 2322053
化粧品成分の機能: 香料
InChI: 1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKey: JMSUNAQVHOHLMX-UHFFFAOYSA-N
SMILES: CC(O)C1CCCCC1
LogP: 1.6 at · 1.6 at 25℃
CAS データベース: 1193 · 1193-81-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Cyclohexylethanol(1193-81-3)
EPAの化学物質情報: Cyclohexanemethanol, .alpha.-methyl- (1193-81-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H312 (99.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 256 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Cyclohexanemethanol, .alpha.-methyl-

Status: Active Update: 16-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24963

1-Cyclohexylethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.2%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: GV5776500
毒性: rabbit,LDLo,skin,1gm/kg (1000mg/kg),LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: OTHER CHANGES,National Technical Information Service. Vol. OTS0545755,
hs_code: 29061900
risk_code: 36/37/38
safety_code: 23-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Household ProductsInformation on 1 consumer products that contain 1-Cyclohexylethanol in the following categories is provided:

Use Classification · 2 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationCyclohexanemethanol, .alpha.-methyl-: ACTIVE

応用分野 · 1 件

一般的な説明1-Cyclohexylethanol undergoes photocatalytic oxidation (PCO) using nanoparticles titanium dioxide (TiO2-P25) as a semiconductor photocatalyst in acetonitrile, under aerated conditions. It forms cyclohexylethanols by undergoing catalytic ring hydrogenation over several noble metal catalysts supported on charcoal, or on γ-alumina in supercritical carbon dioxide.