1-Ethylcyclopentanol

HCID 137018

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1462-96-0
Standard SMILES: CCC1(O)CCCC1
InChIKey: LPCWIFPJLFCXRS-UHFFFAOYSA-N
Molecular formula: C7H14O
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.10446507

Names & identifiers

Preferred name: 1-Ethylcyclopentanol
IUPAC: 1-ethylcyclopentan-1-ol
English name: 1-Ethylcyclopentanol
Molecular formula: C7H14O
Molecular weight: 114.19

Names & synonyms

1-Ethylcyclopentanol1462-96-0Cyclopentanol, 1-ethyl-DTXSID40163305NSC 102769RefChem:75772DTXCID5085796622-831-3LPCWIFPJLFCXRS-UHFFFAOYSA-N1-ethylcyclopentan-1-olMFCD000192811-ethyl-1-cyclopentanol

Show more names

DK078yijihuanwuchun1-Ethylcyclopentano1-Ethylcyclopentanol>1-ETHYL-1-CYCLOPENTANOL1-Ethylcyclopentane-1-ol

NSC1027691-Ethylcyclopentanol, 96%1-Ethyl-1-hydroxycyclopentaneSCHEMBL305816SCHEMBL1036629SCHEMBL1838418SCHEMBL2293900SCHEMBL5009668

Database identifiers

CAS: 1462-96-0
PubChem CID: 137018
DTXSID: DTXSID40163305
EC Number: 622-831-3
Nikkaji: J99.907E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 72.5

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -10 °C · -10°C(lit.)
Boiling point: 153 °C · 153°C(lit.)
Density: 0.909 g/mL · 0.909 g/mL at 25 °C
Flash point: 49 ° · 49°(120°F)
refractive index: 1.457 · 1.4570
storage temp.: 2 · 2-8°C
form: Liquid
pka: 15.38 · 15.38±0.20(Predicted)
color: Colorless to yellow
Sensitive: Moisture Sensitive
InChI: InChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3
InChIKey: LPCWIFPJLFCXRS-UHFFFAOYSA-N
SMILES: C1(CC)(O)CCCC1
CAS DataBase Reference: 1462 · 1462-96-0(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Cyclopentanol, 1-ethyl-(1462-96-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302-H319
Precautionary statements: 210 · P210-P301+P312+P330-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 10 · 10-22-36
Safety Statements: 26 · 26
RIDADR: 1993 C · UN 1993C 3 / PGIII
WGK Germany: 3 · 3
HS Code: 2906.19 · 2906.19.5000
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: 3
ridadr: UN 1993C 3 / PGIII
hs_code: 2906.19.5000
risk_code: 10-22-36
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xn
safety_code: 26
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H302-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3
Precautionary statements: P210-P301+P312+P330-P305+P351+P338

Chemistry & industry

Applications

Uses1-Ethylcyclopentanol is a cyclic alcohol used in the production of cyclopentanol derivatives. These derivatives serve as intermediates for agrochemicals, pharmaceuticals, and flavors.

Preparation methods

PreparationWhen Grignard reagent (CH3CH2-Mgl) is added to ketone (C5H8O), it attacks the carbonyl carbon of ketone, and after protonation, it results in tertiary alcohol.Synthesis of 1-ethylcyclopentanol