シクロヘキサンエタノール

2-Cyclohexylethanol

HCID 20508CAS 4442-79-9
部分構造検索類似構造を探す

基本情報

標準SMILES
OCCC1CCCCC1
InChIKey
QJQZRLXDLORINA-UHFFFAOYSA-N
分子式
C8H16O
平均分子量
128.21 g/mol
単同位体質量
128.12011513

名称と識別子

優先名称
2-Cyclohexylethanol
IUPAC
2-cyclohexylethanol
現地名
シクロヘキサンエタノール
英語名
2-Cyclohexylethanol
分子式
C8H16O
分子量
128.21

名称と別名

2-CyclohexylethanolCYCLOHEXANEETHANOL2-Cyclohexylethan-1-OlCyclohexylethanolCyclohexylethyl alcoholEthanol, 2-cyclohexyl-Hexahydrophenylethyl alcoholNSC 30157.beta.-Cyclohexylethyl alcoholEINECS 224-672-12-Cyclohexylethyl alcoholUNII-653AOK9PUO
名称をさらに表示
シクロヘキサンエタノール2-シクロヘキシルエタノールシクロヘキサンエタノ-ルβ-シクロヘキシルエチルアルコール2-シクロヘキシルエタノール, 98%CYCLOHEXYL ETHYL ALCOHOL2-CyclohexylCYCLOHEXANETHANOL2-CYCLOHEXYETHANOL2-cyclohexyl-ethano
BRN 1848152653AOK9PUO2-cyclohexyl-1-ethanolAI3-038832-CYCLOHEXANEETHANOLNSC-30157.beta.-Cyclohexyl ethanol4-06-00-00119 (Beilstein Handbook Reference)

データベース識別子

CAS
4442-79-9
PubChem CID
20508
DTXSID
DTXSID7063473
UNII
653AOK9PUO
EC Number
224-672-1
Nikkaji
J34.791D

物性

構造計算による物性

XLogP
2.6
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
9

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (2-Cyclohexylethyl alcohol) -> IFRA transparency List
Density0.9229 @ 20°C
Flavoring AgentsEU Flavoring substances
Boiling Point208 °C @760 [mm Hg]

物理化学的性質

融点
-20 °C · -20 °C
沸点
206 · 206-207 °C/745 mmHg (lit.)
比重(密度)
0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
蒸気圧
0.2 hPa · 0.2 hPa (25 °C)
屈折率
20 · n20/D 1.465(lit.)
闪点
188 °F · 188 °F

化学的性質

化学的特性2-Cyclohexylethanol is a clear colourless liquid. B.P. 204℃. Dry-camphoraceous odor with some (but not much) resemblance to Rose and Patchouli notes.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 308 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 · 4 件

Chemical: Cyclohexaneethanol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24028

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

Other Safety InformationIMAP assessments - Cyclohexaneethanol: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] An irritant; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Cyclohexanol.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

2.8 [mg/m3]

31 [mg/m3]

190 [mg/m3]

安全データ

wgk
3
tsca
TSCA listed
rtecs
KK3528000
毒性
LD50 orally in Rabbit: 940 mg/kg LD50 dermal Rabbit 1220 mg/kg
hs_code
29061900
risk_code
21/22

化学と産業

用途と製造

UsesReportedly occurs in essential oils; Used as a flavoring agent; [EFSA]
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexaneethanol: ACTIVE

応用分野

天然物の起源Has apparently not been reported to occur in nature

使用2-Cyclohexylethanol is a useful building block, and has recently been used in a green preparation of oxidative esterification of primary alcohols.

調製方法

製造方法By catalytic hydrogenation of phenylethyl alcohol under pressure (Arctander, 1969).

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
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