Cyclopentaneethanol

HCID 69833

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 766-00-7
Standard SMILES: OCCC1CCCC1
InChIKey: JEXQWCBPEWHFKC-UHFFFAOYSA-N
Molecular formula: C7H14O
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.10446507

Names & identifiers

Preferred name: Cyclopentaneethanol
IUPAC: 2-cyclopentylethanol
English name: 2-Cyclopentylethanol
Molecular formula: C7H14O
Molecular weight: 114.19

Names & synonyms

766-00-7CyclopentaneethanolAI3-28619EINECS 212-156-9DTXSID80227399RefChem:580988DTXCID30149890212-156-92-Cyclopentylethanol2-cyclopentylethan-1-ol2-Cyclopentaneethanol2-Cyclopentyl-ethanol

Show more names

METHYLCYCLOPENTYLCARBINOLTIMTEC-BB SBB0084592-Cyclopentanethanol2-Cyclopentylethanol,97%CYCLOPENTYLMETHYLCARBINOL

2-HydroxyethylcyclopentaneMFCD00019301Cyclopentylethanolcyclopentane-ethanol(2-cyclopentyl)ethyl alcoholSB23028AS-50373EN300-62842

Database identifiers

CAS: 766-00-7
PubChem CID: 69833
DTXSID: DTXSID80227399
EC Number: 212-156-9
Nikkaji: J150.137B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 55

Physicochemical properties

Boiling point: 78 · 78-80°C 10mm
Density: 0 · 0,92 g/cm3
refractive index: 1.4585 · 1.4585
Flash point: 78 · 78-80°C/10mm
storage temp.: 2 · 2-8°C
solubility: Chloroform, DMSO, Methanol
form: Oil
pka: 15.22 · 15.22±0.10(Predicted)
color: Pale Yellow
BRN: 2069860 · 2069860
CAS DataBase Reference: 766 · 766-00-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Safety Statements: 23 · 23-24/25
HS Code: 2906190090 · 2906190090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2906190090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H227
Precautionary statements: P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a

Chemistry & industry

Applications · 1 item

UsesCyclopentaneethanol is used in the prepartion of phenylalanine derivatives for incorporation into peptides as CD4 mimetic miniproteins interacting with HIV-1 surface glycoprotein. It is also used in the preparation of tertiary amine muscarinic receptor antagonists applied towards the treatment of chronic obstructive pulmonary disease.