Fenipentol

HCID 3338

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Basic information

CAS: 583-03-9
Standard SMILES: CCCCC(O)c1ccccc1
InChIKey: OVGORFFCBUIFIA-UHFFFAOYSA-N
Molecular formula: C11H16O
Average molar mass: 164.24 g/mol
Monoisotopic mass: 164.12011513

Overview

Fenipentol is a member of benzenes.

Names & identifiers

Preferred name: Fenipentol
IUPAC: 1-phenylpentan-1-ol
English name: Fenipentol
Molecular formula: C11H16O
Molecular weight: 164.25

Names & synonyms

fenipentol1-phenylpentan-1-ol583-03-91-Phenyl-1-pentanolPancoral1-Phenylpentanolalpha-Butylbenzyl alcoholPhenylbutylcarbinol1-Pentanol, 1-phenyl-1-Phenyl-1-hydroxypentaneFenipentolum1-phenyl-1-hydroxy-n-pentane

Show more names

pc1D52N8LphbcPrLZPC 1PH BCNSC 8478Suiclisin

DTXSID4046818PH-BCNSC-8478X3FZE77O60BENZYL ALCOHOL, alpha-BUTYL-DTXCID2026818fenipentoloRefChem:598872

Database identifiers

CAS: 583-03-9
PubChem CID: 3338
DTXSID: DTXSID4046818
ChEMBL: CHEMBL2104321
ChEBI: CHEBI:31600
UNII: X3FZE77O60
EC Number: 209-493-9
Nikkaji: J2.071K

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 106

Physicochemical properties

Melting point: 25 °C · <25 °C
Boiling point: 137 °C · 137°C 2mm
Density: 0 · 0,96 g/cm3
refractive index: 1.508 · 1.5080
Flash point: 137 °C/2mm · 137°C/2mm
storage temp.: Sealed in dry,Room Temperature
pka: 14.43 · 14.43±0.20(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Merck: 14 · 14,3975
BRN: 1908761 · 1908761
InChI: InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
InChIKey: OVGORFFCBUIFIA-UHFFFAOYSA-N
SMILES: C(C1C=CC=CC=1)(O)CCCC
CAS DataBase Reference: 583 · 583-03-9(CAS DataBase Reference)
FDA UNII: 3 FZE77O60 · X3FZE77O60
NIST Chemistry Reference: Fenipentol(583-03-9)
EPA Substance Registry System: Benzenemethanol, .alpha.-butyl- (583-03-9)
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 319 · H319-H400-H372
Precautionary statements: 273 · P273-P305+P351+P338
Safety Statements: 24 · 24/25
RTECS: 8780000 · DN8780000
TSCA: TSCA listed
HS Code: 2906.29 · 2906.29.6000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

tsca: TSCA listed
rtecs: DN8780000
hs_code: 2906.29.6000
Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS09
safety_code: 24/25
Hazard statements: H319-H400-H372
Precautionary statements: P273-P305+P351+P338

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationGastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic).