2-Cyclopenten-1-ol

2-Cyclopentene-1-ol

HCID 220164

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Grundinformationen

CAS: 3212-60-0
Standard-SMILES: OC1C=CCC1
InChIKey: PSBABBDEUFNFKJ-UHFFFAOYSA-N
Summenformel: C5H8O
Durchschnittliche Molmasse: 84,12 g/mol
Monoisotopische Masse: 84,05751488

Namen und Bezeichner

Bevorzugter Name: 2-Cyclopentene-1-ol
IUPAC: cyclopent-2-en-1-ol
Lokaler Name: 2-Cyclopenten-1-ol
Englischer Name: cyclopent-2-en-1-ol
Summenformel: C5H8O
Molmasse: 84.12

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 66,3

Physikochemische Eigenschaften

Schmelzpunkt: -57.55 °C · -57.55°C
Siedepunkt: 114.43 °C · 114.43°C (rough estimate)
Dichte: 0.888 · 0.8880 (rough estimate)
Brechungsindex: 1.4316 · 1.4316 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.67 · 14.67±0.20(Predicted)
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
EPA chemische Informationen: 2 · 2-Cyclopenten-1-ol (3212-60-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

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

Sicherheitsdaten

tsca: TSCA listed
Toxizität: 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,