U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O
Molecular Weight 148.2017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PHENYL-2-BUTANONE

SMILES

CC(=O)CCC1=CC=CC=C1

InChI

InChIKey=AKGGYBADQZYZPD-UHFFFAOYSA-N
InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H12O
Molecular Weight 148.2017
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Influence of the N-B transition of human serum albumin on the structure of the warfarin-binding site.
1987 Sep 24
Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations.
2002 Apr
Opportunistic out-crossing in Nicotiana attenuata (Solanaceae), a predominantly self-fertilizing native tobacco.
2003 Jul 16
The prodrug activator EtaA from Mycobacterium tuberculosis is a Baeyer-Villiger monooxygenase.
2004 Jan 30
Dorycnioside, a new phenylbutanone glucoside from Dorycnium pentaphyllum subsp. herbaceum.
2004 Jan-Feb
ISSR and AFLP analysis of the temporal and spatial population structure of the post-fire annual, Nicotiana attenuata, in SW Utah.
2004 Sep 6
Antioxidant and free radical scavenging activities of Misodendrum punctulatum, myzodendrone and structurally related phenols.
2005 Dec
Dakin-West synthesis of beta-aryl ketones.
2006 Aug 18
Total synthesis of natural product (R)-4-phenyl-2-O-[beta-D-xylopyranosyl(1-->6)-beta-D-glucopyranosyl]butane and its epimer.
2007 Apr-Aug
Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum.
2007 Feb
A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone.
2007 Feb
Asymmetric reduction and oxidation of aromatic ketones and alcohols using W110A secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus.
2007 Jan 5
Making sense of nectar scents: the effects of nectar secondary metabolites on floral visitors of Nicotiana attenuata.
2007 Mar
Field experiments with transformed plants reveal the sense of floral scents.
2008 Aug 29
Plant science. The "invisible hand" of floral chemistry.
2008 Aug 29
Sedative effects of vapor inhalation of agarwood oil and spikenard extract and identification of their active components.
2008 Jan
t-3-Benzyl-r-2,c-6-bis-(4-methoxy-phen-yl)-piperidin-4-one.
2008 Jun 7
DNA-targeting pyrroloquinoline-linked butenone and chalcones: synthesis and biological evaluation.
2009 Jul
Silencing NaTPI expression increases nectar germin, nectarins, and hydrogen peroxide levels and inhibits nectar removal from plants in nature.
2010 Apr
Chemical composition of volatile oils of Aquilaria malaccensis (Thymelaeaceae) from Malaysia.
2010 Dec
Changing pollinators as a means of escaping herbivores.
2010 Feb 9
[Synthesis and investigation on antidiabetic activity of 4-(1-aryl-3-oxo-5-phenylpentylamino) benzenesulfonamide].
2010 Jan
(η-Penta-methyl-cyclo-penta-dien-yl)(η-4-phenyl-butan-2-one)ruthenium(II) tetra-phenyl-borate.
2010 Nov 13
Chemical compositions, antifungal and antioxidant activities of essential oil and various extracts of Melodorum fruticosum L. flowers.
2010 Oct
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:07:11 GMT 2023
Edited
by admin
on Fri Dec 15 19:07:11 GMT 2023
Record UNII
UZM5QH16YW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PHENYL-2-BUTANONE
Systematic Name English
2-PHENYLETHYL METHYL KETONE
Systematic Name English
1-PHENYL-3-BUTANONE
Systematic Name English
2-BUTANONE, 4-PHENYL-
Systematic Name English
NSC-44829
Code English
PHENETHYL METHYL KETONE
Systematic Name English
4-PHENYL BUTANONE
Systematic Name English
METHYL 2-PHENYLETHYL KETONE
Systematic Name English
BENZYLACETONE
Systematic Name English
METHYL PHENETHYL KETONE
Systematic Name English
NSC-813
Code English
Code System Code Type Description
SMS_ID
100000171967
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
CAS
2550-26-7
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
FDA UNII
UZM5QH16YW
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID6033241
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
WIKIPEDIA
Benzylacetone
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
PUBCHEM
17355
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-847-4
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
NSC
813
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY
NSC
44829
Created by admin on Fri Dec 15 19:07:11 GMT 2023 , Edited by admin on Fri Dec 15 19:07:11 GMT 2023
PRIMARY