4-Pentylphenol

HCID 26975

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Grundinformationen

CAS: 14938-35-3
Standard-SMILES: CCCCCc1ccc(O)cc1
InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
Summenformel: C11H16O
Durchschnittliche Molmasse: 164,24 g/mol
Monoisotopische Masse: 164,12011513

Überblick

4-n-Pentylphenol is a member of phenols.

Namen und Bezeichner

Bevorzugter Name: 4-Pentylphenol
IUPAC: 4-pentylphenol
Lokaler Name: 4-Pentylphenol
Englischer Name: 4-Pentylphenol
Summenformel: C11H16O
Molmasse: 164.24

Namen und Synonyme

4-PENTYLPHENOL14938-35-34-n-Pentylphenol4-AmylphenolPhenol, 4-pentyl-4-n-Amylphenolp-AmylphenolPhenol, p-pentyl-DTXSID904416440069Q368QDTXCID7024164RefChem:100310

Weitere Namen anzeigen

P-N-PENTYLPHENOL5PO4-pentyl-phenop-pentyl-phenoP-N-AMYL PHENOL

239-015-4p-PentylphenolAmyl p-hydroxybenzene4-Pentyl-phenolp-Hydroxy-n-pentylbenzenep-n-Amylphenol1219805-30-7MFCD00020211

Datenbank-Bezeichner

CAS: 14938-35-3
PubChem CID: 26975
DTXSID: DTXSID9044164
ChEMBL: CHEMBL153388
ChEBI: CHEBI:34441
UNII: 40069Q368Q
EC Number: 239-015-4
Nikkaji: J34.565B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

LogP4.06

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section146.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044164]

Physikochemische Eigenschaften

Schmelzpunkt: 23 · 23-25 °C
Siedepunkt: 342 °C · 342 °C
Dichte: 0.96 g/mL · 0.960 g/mL at 20 °C (lit.)
Dampfdichte: 5.66 · 5.66
Brechungsindex: 20 · n20/D 1.515
Flammpunkt: 133 °C · 133 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 10.26 · 10.26±0.13(Predicted)
Aggregatzustand: A liquid
Wichte: 0.966 · 0.966
Farbe: White or Colorless to Light yellow
Wasserlöslichkeit: 99.99 mg/L · 99.99mg/L(25 ºC)
BRN: 1364424 · 1364424
InChI: 1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
SMILES: CCCCCc1ccc(O)cc1
CAS Datenbank: 14938 · 14938-35-3(CAS DataBase Reference)
NIST chemische Informationen: P-n-amyl phenol(14938-35-3)
EPA chemische Informationen: 4 · 4-Pentylphenol (14938-35-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationPhenol, 4-pentyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1C (97.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2430 8/PG 1
hs_code: 29071990
RTECS-Nr.: SM6750000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2