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

Details

Stereochemistry RACEMIC
Molecular Formula C9H12O2
Molecular Weight 152.1904
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(5-METHYL-2-FURYL)BUTANAL

SMILES

CC(CC=O)C1=CC=C(C)O1

InChI

InChIKey=DFSVNSCDOZSUCT-UHFFFAOYSA-N
InChI=1S/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H12O2
Molecular Weight 152.1904
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Effects of natural and chemically synthesized furanones on quorum sensing in Chromobacterium violaceum.
2004 Jul 2
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:47:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:47:59 GMT 2023
Record UNII
HMR4SK847T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(5-METHYL-2-FURYL)BUTANAL
FHFI  
Systematic Name English
.BETA.,5-DIMETHYL-2-FURANPROPANAL
Systematic Name English
(±)-3-(5-METHYL-2-FURYL) BUTANAL
Systematic Name English
3-(5-METHYL-2-FURYL)BUTANAL [FHFI]
Common Name English
FEMA NO. 3307
Code English
2-FURANPROPANAL, .BETA.,5-DIMETHYL-
Systematic Name English
3-(5-METHYLFURAN-2-YL)BUTYRALDEHYDE
Systematic Name English
3-(5-METHYLFURYL)BUTANAL
Systematic Name English
3-(5-METHYL-2-FURYL)BUTYRALDEHYDE
Systematic Name English
2-FURANPROPIONALDEHYDE, .BETA.,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
3578033
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
CAS
31704-80-0
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
JECFA MONOGRAPH
1491
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-771-4
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID10865607
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
FDA UNII
HMR4SK847T
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY