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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O
Molecular Weight 114.1855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HEPTANONE

SMILES

CCCCC(=O)CC

InChI

InChIKey=NGAZZOYFWWSOGK-UHFFFAOYSA-N
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H14O
Molecular Weight 114.1855
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Urine 4-heptanone: a beta-oxidation product of 2-ethylhexanoic acid from plasticisers.
2001 Apr
Volatile biomarkers of pulmonary tuberculosis in the breath.
2007 Jan
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:55:42 GMT 2023
Edited
by admin
on Fri Dec 15 16:55:42 GMT 2023
Record UNII
10GA6SR3AT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEPTANONE
FCC   FHFI   HSDB  
Systematic Name English
3-HEPTANONE [FCC]
Common Name English
FEMA NO. 2545
Code English
3-HEPTANONE [FHFI]
Common Name English
ETHYL-N-BUTYL KETONE
Common Name English
HEPTAN-3-ONE
Systematic Name English
ETHYL BUTYL KETONE
Systematic Name English
NSC-8448
Code English
3-HEPTANONE [HSDB]
Common Name English
ETHYL BUTYL KETONE 3-HEPTANONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-HEPTANONE
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
Code System Code Type Description
MESH
C023355
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
WIKIPEDIA
3-Heptanone
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
NSC
8448
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID2047438
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
CAS
106-35-4
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
HSDB
1816
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
CHEBI
50139
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
FDA UNII
10GA6SR3AT
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
PUBCHEM
7802
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-388-1
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY
JECFA MONOGRAPH
391
Created by admin on Fri Dec 15 16:55:42 GMT 2023 , Edited by admin on Fri Dec 15 16:55:42 GMT 2023
PRIMARY