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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12
Molecular Weight 144.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-PHENYL-1-PENTYNE

SMILES

C#CCCCC1=CC=CC=C1

InChI

InChIKey=KOSORCNALVBYBP-UHFFFAOYSA-N
InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2

HIDE SMILES / InChI

Molecular Formula C11H12
Molecular Weight 144.213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Detection of phenolic metabolites of styrene in mouse liver and lung microsomal incubations.
2010-11
In vitro metabolism and covalent binding of ethylbenzene to microsomal protein as a possible mechanism of ethylbenzene-induced mouse lung tumorigenesis.
2009-11-09
Upper respiratory tract uptake of naphthalene.
2009-10
Naphthalene toxicity in mice and aryl hydrocarbon receptor-mediated CYPs.
2006-09-15
Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne.
2005-09-29
Conformation-specific spectroscopy of 4-phenyl-1-butyne and 5-phenyl-1-pentyne.
2005-09-29
Bioactivation of 1,1-dichloroethylene by CYP2E1 and CYP2F2 in murine lung.
2004-09
Influence of selected inhibitors on the metabolism of the styrene metabolite 4-vinylphenol in wild-type and CYP2E1 knockout mice.
2004-06-25
Benzene metabolism in human lung cell lines BEAS-2B and A549 and cells overexpressing CYP2F1.
2004
Synthesis of annulated gamma-carbolines and heteropolycycles by the palladium-catalyzed intramolecular annulation of alkynes.
2003-06-27
Effect of the inhibition of the metabolism of 4-vinylphenol on its hepatotoxicity and pneumotoxicity in rats and mice.
2002-09-30
Styrene respiratory tract toxicity and mouse lung tumors are mediated by CYP2F-generated metabolites.
2002-06
Identification of the cytochromes P450 that catalyze coumarin 3,4-epoxidation and 3-hydroxylation.
2002-05
The role of cytochromes P-450 in styrene induced pulmonary toxicity and carcinogenicity.
2001-12-14
The toxicity of styrene to the nasal epithelium of mice and rats: studies on the mode of action and relevance to humans.
2001-08-31
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:15:50 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:50 GMT 2025
Record UNII
B4QV76Z86Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-102794
Preferred Name English
5-PHENYL-1-PENTYNE
Systematic Name English
1-PHENYL-4-PENTYNE
Systematic Name English
BENZENE, 4-PENTYN-1-YL-
Systematic Name English
PENTYNYLBENZENE, 4-
Systematic Name English
4-PENTYNYLBENZENE
Systematic Name English
BENZENE, 4-PENTYNYL-
Systematic Name English
1-PENTYNE, 5-PHENYL-
Systematic Name English
4-PENTYN-1-YLBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
74573
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-352-8
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
CAS
1823-14-9
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID50171279
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
FDA UNII
B4QV76Z86Q
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
NSC
102794
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY