2-Cyclohexylethanol

HCID 20508CAS 4442-79-9
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Grundinformationen

Standard-SMILES
OCCC1CCCCC1
InChIKey
QJQZRLXDLORINA-UHFFFAOYSA-N
Summenformel
C8H16O
Durchschnittliche Molmasse
128,21 g/mol
Monoisotopische Masse
128,12011513

Namen und Bezeichner

Bevorzugter Name
2-Cyclohexylethanol
IUPAC
2-cyclohexylethanol
Lokaler Name
2-Cyclohexylethanol
Englischer Name
2-Cyclohexylethanol
Summenformel
C8H16O
Molmasse
128.21

Namen und Synonyme

2-CyclohexylethanolCYCLOHEXANEETHANOL2-Cyclohexylethan-1-OlCyclohexylethanolCyclohexylethyl alcoholEthanol, 2-cyclohexyl-Hexahydrophenylethyl alcoholNSC 30157.beta.-Cyclohexylethyl alcoholEINECS 224-672-12-Cyclohexylethyl alcoholUNII-653AOK9PUO
Weitere Namen anzeigen
CYCLOHEXYL ETHYL ALCOHOL2-CyclohexylCYCLOHEXANETHANOL2-CYCLOHEXYETHANOL2-cyclohexyl-ethano
BRN 1848152653AOK9PUO2-cyclohexyl-1-ethanolAI3-038832-CYCLOHEXANEETHANOLNSC-30157.beta.-Cyclohexyl ethanol4-06-00-00119 (Beilstein Handbook Reference)

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt
-20 °C · -20 °C
Siedepunkt
206 · 206-207 °C/745 mmHg (lit.)
Dichte
0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
Dampfdruck
0.2 hPa · 0.2 hPa (25 °C)
Brechungsindex
20 · n20/D 1.465(lit.)
Flammpunkt
188 °F · 188 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

2.8 [mg/m3]

31 [mg/m3]

190 [mg/m3]

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29061900
RTECS-Nr.
KK3528000
risk_code
21/22
Toxizität
LD50 orally in Rabbit: 940 mg/kg LD50 dermal Rabbit 1220 mg/kg

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

OccurrenceHas apparently not been reported to occur in nature

Verwenden2-Cyclohexylethanol is a useful building block, and has recently been used in a green preparation of oxidative esterification of primary alcohols.

Darstellung

synthetischeBy catalytic hydrogenation of phenylethyl alcohol under pressure (Arctander, 1969).

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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