2-Cyclohexylethanol
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Basic information
- CAS
4442-79-9- Standard SMILES
OCCC1CCCCC1- InChIKey
QJQZRLXDLORINA-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 2-Cyclohexylethanol
- IUPAC
- 2-cyclohexylethanol
- English name
- 2-Cyclohexylethanol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2-CyclohexylethanolCYCLOHEXANEETHANOL2-Cyclohexylethan-1-OlCyclohexylethanolCyclohexylethyl alcoholEthanol, 2-cyclohexyl-Hexahydrophenylethyl alcoholNSC 30157.beta.-Cyclohexylethyl alcoholEINECS 224-672-12-Cyclohexylethyl alcoholUNII-653AOK9PUO
Show more names
CYCLOHEXYL ETHYL ALCOHOL2-CyclohexylCYCLOHEXANETHANOL2-CYCLOHEXYETHANOL2-cyclohexyl-ethano
BRN 1848152653AOK9PUO2-cyclohexyl-1-ethanolAI3-038832-CYCLOHEXANEETHANOLNSC-30157.beta.-Cyclohexyl ethanol4-06-00-00119 (Beilstein Handbook Reference)
Database identifiers
- CAS
4442-79-9- PubChem CID
- 20508
- DTXSID
DTXSID7063473- UNII
- 653AOK9PUO
- EC Number
- 224-672-1
- Nikkaji
- J34.791D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Experimental & physicochemical properties
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]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -20 °C · -20 °C
- Boiling point
- 206 · 206-207 °C/745 mmHg (lit.)
- Density
- 0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Safety & protection
Protective Action Criteria (PAC)
2.8 [mg/m3]
31 [mg/m3]
190 [mg/m3]
Safety data
Chemistry & industry
Uses & manufacturing
UsesReportedly occurs in essential oils; Used as a flavoring agent; [EFSA]
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexaneethanol: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature
Uses2-Cyclohexylethanol is a useful building block, and has recently been used in a green preparation of oxidative esterification of primary alcohols.
Preparation methods
PreparationBy catalytic hydrogenation of phenylethyl alcohol under pressure (Arctander, 1969).
Upstream & downstream products
Upstream raw materials
Related reactions
52 records
Compound notes
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