2-Ethylcyclohexanol

HCID 19576

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3760-20-1
Standard SMILES: CCC1CCCCC1O
InChIKey: CFYUBZHJDXXXQE-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Names & identifiers

Preferred name: 2-Ethylcyclohexanol
IUPAC: 2-ethylcyclohexan-1-ol
English name: 2-Ethylcyclohexanol
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

2-ETHYLCYCLOHEXANOL3760-20-1EINECS 223-174-1NSC 62035RefChem:471921223-174-12-ethylcyclohexan-1-ol2-ethyl-cyclohexanolMFCD000014452-Ethylcyclohexanol,c&tCyclohexanol, 2-ethyl-NSC62035

Show more names

2-Ethyl-1-cyclohexanol2-Eethylcyclohexanol2-Ethylcyclohexanol 2-Ethylcyclohexanol(c,t)2-Ethylcyclohexanol(cis-andtrans-mixture)>2-Ethylcyclohexanol,mixture of cis and trans2-ethylcyclohexanol, mixture of cis and tran2-ETHYLCYCLOHEXANOL (CIS- AND TRANS- MIXTURE)

NSC-62035AKOS000119845BS-22902CS-0204697E0365EN300-19953D90497Z104476198

Database identifiers

CAS: 3760-20-1
PubChem CID: 19576
DTXSID: DTXSID20958650
EC Number: 223-174-1
Nikkaji: J174.546H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 80

Physicochemical properties

Melting point: 19.68 °C · 19.68°C (estimate)
Boiling point: 74 · 74-79 °C12 mm Hg(lit.)
Density: 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.464(lit.)
Flash point: 155 °F · 155 °F
pka: 15.33 · 15.33±0.40(Predicted)
form: clear liquid
color: Colorless to Almost colorless
InChI: 1S/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3
InChIKey: CFYUBZHJDXXXQE-UHFFFAOYSA-N
SMILES: CCC1CCCCC1O
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 23 · 23-24/25-39-26
WGK Germany: 3 · 3
HS Code: 2906190090 · 2906190090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Eye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.