4-Cyclopentylphenol

HCID 15202CAS 1518-83-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Oc1ccc(C2CCCC2)cc1
InChIKey: SNBKPVVDUBFDEJ-UHFFFAOYSA-N
Summenformel: C11H14O
Durchschnittliche Molmasse: 162,23 g/mol
Monoisotopische Masse: 162,10446507

Überblick

4-cyclopentylphenol is a member of phenols.

Namen und Bezeichner

Bevorzugter Name: 4-Cyclopentylphenol
IUPAC: 4-cyclopentylphenol
Englischer Name: 4-CYCLOPENTYLPHENOL
Summenformel: C11H14O
Molmasse: 162.23

Namen und Synonyme

4-CYCLOPENTYLPHENOLRefChem:522356620-780-11518-83-8Phenol, 4-cyclopentyl-MFCD000099534-cyclopentyl-phenolNSC407856NSC 407856Phenol, p-cyclopentyl-AI3-22766SCHEMBL56284

Weitere Namen anzeigen

4-(Cyclopentane-1-yl)phenol4-CYCLOPENTYLPHENOL, TECH., 95%4-Cyclopentylphenol technical grade, 95%

SCHEMBL2097659SCHEMBL6831259DTXSID60164874CHEBI:167800AKOS015916279NSC-407856AS-572374-Cyclopentylphenol, technical grade, 95%

Datenbank-Bezeichner

CAS: 1518-83-8
PubChem CID: 15202
DTXSID: DTXSID60164874
ChEBI: CHEBI:167800
EC Number: 620-780-1
Nikkaji: J309.002G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 130

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-66 °C (lit.)
Siedepunkt: 155 °C/12 · 155 °C/12 mmHg (lit.)
Dichte: 0.9411 · 0.9411 (rough estimate)
Brechungsindex: 1.527 · 1.5270 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 10.24 · 10.24±0.13(Predicted)
Aggregatzustand: solid
Farbe: Beige
InChI: 1S/C11H14O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12H,1-4H2
InChIKey: SNBKPVVDUBFDEJ-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)C2CCCC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2907199090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites4-Cyclopentylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-cyclopentylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.