2-Cyclohexylethanol

HCID 20508CAS 4442-79-9
Substructure searchFind similar structures

Basic information

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 properties

XLogP
2.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
9

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]

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.)
vapor pressure
0.2 hPa · 0.2 hPa (25 °C)
refractive index
20 · n20/D 1.465(lit.)
FLAVIS Number
2.134 · 02.134 | 2-Cyclohexylethan-1-ol

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 4 items

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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) · 3 items

2.8 [mg/m3]

31 [mg/m3]

190 [mg/m3]

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
KK3528000
hs_code
29061900
Toxicity
LD50 orally in Rabbit: 940 mg/kg LD50 dermal Rabbit 1220 mg/kg

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

Suppliers50 total

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]

Related reactions

52 records
New reaction record

Linked notes

Loading…