pentylbenzene

Compound Structure:

Synonyms:

Pentylbenzene ;538-68-1 ;1-Phenylpentane ;Amylbenzene ;n-Pentylbenzene

Compound ID:

NMPC-1392

PubChem ID:

Molecular Formula:

C11H16

Canonical SMILES:

CCCCCC1=CC=CC=C1

InChIKey:

PWATWSYOIIXYMA-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H411 (35.29%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

• H412 (64.71%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	148.24 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	148.125200510 g/mol
Monoisotopic Mass	148.125200510 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	80
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]
Vapor Pressure	0.43 [mmHg]

Source: PubChem

Source Species:

Acalypha segetalis

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