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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O
Molecular Weight 146.1858
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZYLIDENEACETONE

SMILES

CC(=O)\C=C\C1=CC=CC=C1

InChI

InChIKey=BWHOZHOGCMHOBV-BQYQJAHWSA-N
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

HIDE SMILES / InChI
Molecular Formula C10H10O
Molecular Weight 146.1858
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Antigenic competition in the induction of contact sensitivity in the guinea pig.
1985
Parallel induction of heme oxygenase-1 and chemoprotective phase 2 enzymes by electrophiles and antioxidants: regulation by upstream antioxidant-responsive elements (ARE).
1995 Nov
Electrophile and antioxidant regulation of enzymes that detoxify carcinogens.
1995 Sep 12
Antioxidative function and substrate specificity of NAD(P)H-dependent alkenal/one oxidoreductase. A new role for leukotriene B4 12-hydroxydehydrogenase/15-oxoprostaglandin 13-reductase.
2001 Nov 2
Metabolism of the alpha,beta-unsaturated ketones, chalcone and trans-4-phenyl-3-buten-2-one, by rat liver microsomes and estrogenic activity of the metabolites.
2005 Aug
The enzymatic asymmetric conjugate umpolung reaction.
2010 Sep 3
Patents

Patents

04910303
3
06258806
7
07981896
3
20080033189
2
20100010008
2
6414089
2
6518315
2
7585986
2
JPH0217146A
2
WO2010138659A1
2
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:11:48 GMT 2023
Edited
by admin
on Fri Dec 15 18:11:48 GMT 2023
Record UNII
B03X40BMT5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLIDENEACETONE
MI  
Systematic Name English
CINNAMYL METHYL KETONE
Systematic Name English
3-BUTEN-2-ONE, 4-PHENYL-, (E)-
Systematic Name English
BENZYLIDENEACETONE [MI]
Common Name English
METHYL STYRYL KETONE
Systematic Name English
ACETOCINNAMONE
Common Name English
4-PHENYL-3-BUTEN-2-ONE, TRANS
Common Name English
BENZYLIDENEACETONE, (E)-
Systematic Name English
4-PHENYL-3-BUTEN-2-ONE [FHFI]
Common Name English
TRANS-BENZYLIDENEACETONE
Systematic Name English
BENZALACETONE [USP IMPURITY]
Common Name English
(3E)-4-PHENYL-3-BUTEN-2-ONE
Systematic Name English
(3E)-4-PHENYLBUT-3-EN-2-ONE (BENZALACETONE)
Common Name English
BENZALACETONE
Systematic Name English
FEMA NO. 2881
Code English
STYRYL METHYL KETONE
Systematic Name English
3-BUTEN-2-ONE, 4-PHENYL-, (3E)-
Systematic Name English
4-PHENYL-3-BUTEN-2-ONE
FHFI  
Systematic Name English
WARFARIN SODIUM IMPURITY C [EP IMPURITY]
Common Name English
NSC-5605
Code English
METHYL TRANS-STYRYL KETONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 4-PHENYL-3-BUTEN-2-ONE
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
Code System Code Type Description
CHEBI
217301
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
JECFA MONOGRAPH
805
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-587-6
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
CAS
1896-62-4
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
MERCK INDEX
m2410
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
204-555-1
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
ALTERNATIVE
CHEBI
78399
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
PUBCHEM
637759
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
FDA UNII
B03X40BMT5
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
SMS_ID
300000031242
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
MESH
C025383
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
CAS
122-57-6
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
5605
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID1031626
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
WIKIPEDIA
BENZYLIDENEACETONE
Created by admin on Fri Dec 15 18:11:48 GMT 2023 , Edited by admin on Fri Dec 15 18:11:48 GMT 2023
PRIMARY
Related Record Type Details
Structure of WARFARIN SODIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of WARFARIN SODIUM
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity C = 0.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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