1-Cyclopentylethanol
Basic information
- CAS
52829-98-8- Standard SMILES
CC(O)C1CCCC1- InChIKey
WPCMSUSLCWXTKB-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Overview
1-cyclopentylethanol is a secondary alcohol that is ethanol in which one of the hydrogens at position 1 has been replaced by a cyclopentyl group. It is a member of cyclopentanes and a secondary alcohol.
Names & identifiers
- Preferred name
- 1-Cyclopentylethanol
- IUPAC
- 1-cyclopentylethanol
- English name
- 2-Cyclopentylethanol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
1-Cyclopentylethanol52829-98-81-cyclopentylethan-1-olalpha-MethylcyclopentanemethanolNSC 94731-hydroxyethylcyclopentaneEINECS 258-208-4CHEBI:131340DTXSID101315122Cyclopentanemethanol, alpha-methyl-RefChem:431812DTXCID501020030
Show more names
TIMTEC-BB SBB008459CYCLOPENTANEETHANOL2-Cyclopentylethanol2-CYCLOPENTANEETHANOLCYCLOPENTYLMETHYLCARBINOLMETHYLCYCLOPENTYLCARBINOL2-HYDROXYETHYLCYCLOPENTANEα-methylcyclopentanemethanol
258-208-4cyclopentyl ethanolMFCD00013743Cyclopentanemethanol, .alpha.-methyl-Cyclopentanemethanol, a-methyl-NSC94731-Cyclopentylethanol, 97%SCHEMBL10964
Database identifiers
- CAS
52829-98-8- PubChem CID
- 95434
- DTXSID
DTXSID101315122- ChEBI
CHEBI:131340- EC Number
- 258-208-4
- Nikkaji
- J110.465I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.8
Physicochemical properties
- Boiling point
- 167 °C · 167 °C(lit.)
- Density
- 0.919 g/mL · 0.919 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.458(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- Store at room temperature
- form
- Liquid
- pka
- 15.33 · 15.33±0.20(Predicted)
- color
- Colorless
- BRN
- 2069851 · 2069851
- InChI
- 1S/C7H14O/c1-6(8)7-4-2-3-5-7/h6-8H,2-5H2,1H3
- InChIKey
- WPCMSUSLCWXTKB-UHFFFAOYSA-N
- SMILES
- CC(O)C1CCCC1
- LogP
- 1.618 · 1.618 (est)
- CAS DataBase Reference
- 52829 · 52829-98-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- risk_code
- 22-36-52
- hazard_code
- Xn
- safety_code
- 24/25-26
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Uses1-Cyclopentylethanol is synthesized from oxazaborolidines and methyllithium.
General Description1-Cyclopentylethanol is synthesized from oxazaborolidines and methyllithium.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A secondary alcohol that is ethanol in which one of the hydrogens at position 1 has been replaced by a cyclopentyl group.
Related reactions
7 records
Compound notes
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