Cyclopentanmethanol

Cyclopentanemethanol

HCID 77195CAS 3637-61-4

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Grundinformationen

Standard-SMILES: OCC1CCCC1
InChIKey: ISQVBYGGNVVVHB-UHFFFAOYSA-N
Summenformel: C6H12O
Durchschnittliche Molmasse: 100,16 g/mol
Monoisotopische Masse: 100,088815

Überblick

Cyclopentyl methanol is a metabolite found in or produced by Saccharomyces cerevisiae.

Namen und Bezeichner

Bevorzugter Name: Cyclopentanemethanol
IUPAC: cyclopentylmethanol
Lokaler Name: Cyclopentanmethanol
Englischer Name: Cyclopentanemethanol
Summenformel: C6H12O
Molmasse: 100.16

Namen und Synonyme

Cyclopentanemethanol3637-61-4EINECS 222-861-3AI3-28356DTXSID70189896NSC 102763RefChem:580995DTXCID30112387222-861-3InChI=1/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5HCyclopentylmethanolCyclopentYl-Methanol

Weitere Namen anzeigen

Cycloamyl carbinolTIMTEC-BB SBB008516RARECHEM AL BD 0721Cyclopentane-1-methanolCyclopentanemethanol,96%Cyclopentanemethanol >Cyclopentylmethyl alcohol

CyclopentylcarbinolMFCD00001384Cyclopentylmethyl alcohol(Hydroxymethyl)cyclopentanecyclopentyl methanolCyclopentyl carbinolSCHEMBL5625UNII-4LG8NG324P

Datenbank-Bezeichner

CAS: 3637-61-4
PubChem CID: 77195
DTXSID: DTXSID70189896
UNII: 4LG8NG324P
EC Number: 222-861-3
Nikkaji: J45.675F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 46,1

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-123 °C(Solv: hexane (110-54-3))
Siedepunkt: 162 · 162-163 °C(lit.)
Dichte: 0.926 g/mL · 0.926 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.458(lit.)
Flammpunkt: 144 °F · 144 °F
storage temp.: Sealed in dry,Room Temperature
pka: 15.26 · 15.26±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1919000 · 1919000
InChI: InChI=1S/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2
InChIKey: ISQVBYGGNVVVHB-UHFFFAOYSA-N
SMILES: C1(CO)CCCC1
LogP: 1.264 · 1.264 (est)
CAS Datenbank: 3637 · 3637-61-4(CAS DataBase Reference)
NIST chemische Informationen: Cyclopentanemethanol(3637-61-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationCyclopentanemethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)

Sicherheitsdaten

wgk: 3
ridadr: 1987
hs_code: 29061990
risk_code: 36/37/38
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungCyclopentanemethanol (CPEM) is a metabolite found in or produced by Saccharomyces cerevisiae. Cyclopentanemethanol can be used as a receptor reagent for the preparation of cyclopentyl methyl β-d -glucoside (CPEM-β-G). The compound was found to have an inhibitory effect on sweet amygdalinase activity (Ki=0.15±0.02 mM). The inhibitory activity of CPEM itself on sweet amygdalinase was weak and uncompetitive type. However, the introduction of glucose molecules as glycosyl groups into CPEM converted its inhibitory type into a competitive one[1].

VerwendenCyclopentanemethanol was used to study catalytic reduction of 6-bromo-1-hexene by nickel (I) salen electrogenerated at a glassy carbon electrode in acetonitrile containing tetramethylammonium tetrafluoroborate by cyclic voltammetry and controlled-potential electrolysis.