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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O3
Molecular Weight 192.2112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VANILLYLIDENE ACETONE

SMILES

COC1=C(O)C=CC(\C=C\C(C)=O)=C1

InChI

InChIKey=AFWKBSMFXWNGRE-ONEGZZNKSA-N
InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+

HIDE SMILES / InChI

Molecular Formula C11H12O3
Molecular Weight 192.2112
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:51:59 GMT 2023
Edited
by admin
on Fri Dec 15 17:51:59 GMT 2023
Record UNII
8CJX5I27B7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANILLYLIDENE ACETONE
FHFI  
Systematic Name English
VANYLIDENACETONE
Common Name English
(E)-2-METHOXY-4-(3-OXO-1-BUTENYL)PHENOL
Systematic Name English
FERULOYLMETHANE
Common Name English
NSC-5316
Code English
3-BUTEN-2-ONE, 4-(4-HYDROXY-3-METHOXYPHENYL)-
Systematic Name English
4-(4-HYDROXY-3-METHOXYPHENYL)-3-BUTEN-2-ONE
Systematic Name English
4-HYDROXY-3-METHOXYBENZYLIDENEACETONE
Systematic Name English
3-METHOXY-4-HYDROXYBENZALACETONE
Systematic Name English
NSC-45411
Code English
DEHYDROGINGERONE
Common Name English
DEHYDRO(0)-PARADOL
Common Name English
(3E)-4-(4-HYDROXY-3-METHOXYPHENYL)BUT-3-EN-2-ONE
Systematic Name English
NSC-4019
Code English
(0)-PARADOL, DEHYDRO-
Common Name English
3-BUTEN-2-ONE, 4-(4-HYDROXY-3-METHOXYPHENYL)-, (E)-
Systematic Name English
NSC-26613
Code English
4-HYDROXY-3-METHOXYSTYRYL METHYL KETONE
Systematic Name English
FEMA NO. 3738
Code English
VANILLYLIDENE ACETONE [FHFI]
Common Name English
VANILLIDENE ACETONE
Common Name English
DEHYDROZINGERONE
Common Name English
3-BUTEN-2-ONE, 4-(4-HYDROXY-3-METHOXYPHENYL)-, (3E)-
Systematic Name English
TRANS-DEHYDROZINGERONE
Common Name English
VANILLALACETONE
Systematic Name English
NSC-44708
Code English
(E)-4-(4-HYDROXY-3-METHOXYPHENYL)BUT-3-EN-2-ONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION VANILLYLIDENE ACETONE
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
Code System Code Type Description
CAS
1080-12-2
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID2061480
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
CAS
22214-42-2
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
NSC
4019
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
NSC
5316
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
MESH
C052933
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
NSC
26613
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
JECFA MONOGRAPH
709
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-096-9
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
NSC
44708
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
NSC
45411
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
FDA UNII
8CJX5I27B7
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY
PUBCHEM
5354238
Created by admin on Fri Dec 15 17:51:59 GMT 2023 , Edited by admin on Fri Dec 15 17:51:59 GMT 2023
PRIMARY