2-Cyclopentene-1-ol

HCID 220164

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3212-60-0
Standard SMILES: OC1C=CCC1
InChIKey: PSBABBDEUFNFKJ-UHFFFAOYSA-N
Molecular formula: C5H8O
Average molar mass: 84.12 g/mol
Monoisotopic mass: 84.05751488

Names & identifiers

Preferred name: 2-Cyclopentene-1-ol
IUPAC: cyclopent-2-en-1-ol
English name: cyclopent-2-en-1-ol
Molecular formula: C5H8O
Molecular weight: 84.12

Names & synonyms

Cyclopent-2-en-1-ol3212-60-02-CYCLOPENTEN-1-OL2-Cyclopentenol2-Cyclopentene-1-ol3-Hydroxycyclopentene1-Cyclopenten-3-olCyclopenten-3-ol3-Hydroxycylopentene6E43R2P5FTNSC 2499NSC-2499

Show more names

cyclopenten-1-ol2-Cyclopenten-1-ol (6CI, 7CI, 8CI, 9CI, ACI)

EINECS 221-725-0AI3-24049DTXSID10883962RefChem:470991DTXCID309954302-CYCLOPENTEN-1-OL, (+-)-221-725-0cyclopent-2-enol

Database identifiers

CAS: 3212-60-0
PubChem CID: 220164
DTXSID: DTXSID10883962
UNII: 6E43R2P5FT
EC Number: 221-725-0
Nikkaji: J48.270F

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 66.3

Physicochemical properties

Melting point: -57.55 °C · -57.55°C
Boiling point: 114.43 °C · 114.43°C (rough estimate)
Density: 0.888 · 0.8880 (rough estimate)
refractive index: 1.4316 · 1.4316 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.67 · 14.67±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2
InChIKey: PSBABBDEUFNFKJ-UHFFFAOYSA-N
SMILES: C1(O)CCC=C1
FDA UNII: 6 E43R2P5FT · 6E43R2P5FT
EPA Substance Registry System: 2 · 2-Cyclopenten-1-ol (3212-60-0)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
TSCA: TSCA listed
Toxicity: 50 · rabbit,LD50,skin,141uL/kg (0.141mL/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)LIVER: OTHER CHANGESSKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",National Technical Information Service. Vol. OTS0534929,

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 2 (50%)

Safety data

tsca: TSCA listed
Toxicity: rabbit,LD50,skin,141uL/kg (0.141mL/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)LIVER: OTHER CHANGESSKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",National Technical Information Service. Vol. OTS0534929,
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301+H311+H331
Precautionary statements: P501-P261-P270-P271-P264-P280-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Cyclopenten-1-ol: ACTIVE

Applications

UsesCyclopent-2-en-1-ol is a useful research chemical compound used in the preparation of lanthanoids by reduction of ketones in presence of lanthanoid chloride.