Pentylbenzene

HCID 10864

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Basic information

CAS: 538-68-1
Standard SMILES: CCCCCc1ccccc1
InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N
Molecular formula: C11H16
Average molar mass: 148.24 g/mol
Monoisotopic mass: 148.12520051

Overview

Pentylbenzene is a member of benzenes.

Names & identifiers

Preferred name: Pentylbenzene
IUPAC: pentylbenzene
English name: n-Pentylbenzene
Molecular formula: C11H16
Molecular weight: 148.24474

Names & synonyms

Pentylbenzene538-68-1AmylbenzeneN-AMYLBENZENEBenzene, pentyl-EINECS 208-701-5Benzene, n-pentyl-CCRIS 4103UNII-5409M6Z67MAI3-00452AMYLBENZENE [MI]NSC-73982

Show more names

5409M6Z67MDTXSID6022054nAmylbenzenenPentylbenzene1Phenylnpentane1Phenylpentanebenzene, pentylPentane, 1phenyl

Database identifiers

CAS: 538-68-1
PubChem CID: 10864
DTXSID: DTXSID6022054
ChEBI: CHEBI:176693
UNII: 5409M6Z67M
EC Number: 208-701-5
Nikkaji: J6.376B

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 80

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 2nd degree

SolventsSolvents -> Aromatic Solvents

SpringerMaterials PropertiesBoiling point

LogP4.9

Vapor Pressure0.43 [mmHg]

Physical DescriptionLiquid; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -75 °C · -75 °C
Boiling point: 205.4 °C · 205.4 °C
Density: 0.8664 g/cm3 · 0.8664 g/cm3(Temp: 15.5 °C)
Symbol(GHS): 9 · GHS09
Hazard statements: 411 · H411
Precautionary statements: 273 · P273

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.

H411 (49%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzene, pentyl-

Benzene, pentyl-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

DOT Hazard Classification · 4 items

n-Amylbenzene

Marine pollutant

n-Pentylbenzene

Marine pollutant

Hazard Classes and Categories · 2 items

Aquatic Chronic 2 (49%)

Flammable agents - 2nd degree