Pentylbenzene - CAS 538-68-1

Catalog:	BB028379
Product Name:	Pentylbenzene
CAS:	538-68-1
Synonyms:	pentylbenzene

Technical Data

Patents

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Computed Properties

IUPAC Name:	pentylbenzene
Description:	Pentylbenzene (CAS# 538-68-1) is a building block for the preparation of various chemical compounds. It is also one of the diesel fuel surrogate, that has been evaluated for representing real diesel fuel (DF) properties.
Molecular Weight:	148.24
Molecular Formula:	C11H16
Canonical SMILES:	CCCCCC1=CC=CC=C1
InChI:	InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChI Key:	PWATWSYOIIXYMA-UHFFFAOYSA-N
Boiling Point:	205 ℃
Purity:	96.0 % (GC)
Density:	0.863 g/cm³
Appearance:	Liquid
MDL:	MFCD00009502
LogP:	3.41930
Vapor Pressure:	0.43 [mmHg]

Publication Number	Title	Priority Date
CN-113429302-A	Naphthofluorene derivative, luminescent material, luminescent element and consumer product	20210827
CN-113429348-A	Anthracene imidazole derivative, organic electroluminescent material and consumer product	20210827
CN-113429385-A	Thioxanthene derivatives and their use	20210827
CN-113429393-A	Anthracene-indole derivative, material for organic electroluminescent element, light-emitting element, and consumer product	20210826
CN-113429395-A	Imidazole derivative, organic electroluminescent material, light-emitting element, and consumer product	20210727

PMID	Publication Date	Title	Journal
24667653	20140525	Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol	Chemico-biological interactions
22560348	20120615	Chemical anchoring of lauryl methacrylate-based reversed phase monolith to 1/16″ o.d. polyetheretherketone tubing	Journal of chromatography. A
21821735	20111101	Cannabidiol, a major phytocannabinoid, as a potent atypical inhibitor for CYP2D6	Drug metabolism and disposition: the biological fate of chemicals
21633115	20110901	Dose-response assessment of fetal testosterone production and gene expression levels in rat testes following in utero exposure to diethylhexyl phthalate, diisobutyl phthalate, diisoheptyl phthalate, and diisononyl phthalate	Toxicological sciences : an official journal of the Society of Toxicology
21703629	20110805	Preparation and characterization of lauryl methacrylate-based monolithic microbore column for reversed-phase liquid chromatography	Journal of chromatography. A

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Complexity:	80
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.12520051
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.12520051
Rotatable Bond Count:	4
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5