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Details

Stereochemistry ACHIRAL
Molecular Formula C8H16O
Molecular Weight 128.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OCTANONE

SMILES

CCCCCC(=O)CC

InChI

InChIKey=RHLVCLIPMVJYKS-UHFFFAOYSA-N
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H16O
Molecular Weight 128.212
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:59:27 UTC 2023
Edited
by admin
on Fri Dec 15 18:59:27 UTC 2023
Record UNII
79173B4107
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OCTANONE
FHFI   HSDB   MI  
Systematic Name English
3-OCTANONE [MI]
Common Name English
OCTANONE, 3-
Systematic Name English
NSC-60161
Code English
3-OCTANONE [FHFI]
Common Name English
ETHYL AMYL KETONE
Systematic Name English
FEMA NO. 2803
Code English
ETHYL N-PENTYL KETONE
Common Name English
3-OCTANONE [HSDB]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 3-OCTANONE
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
203-423-0
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
PUBCHEM
246728
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
HSDB
5371
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
CHEBI
80946
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
JECFA MONOGRAPH
396
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
WIKIPEDIA
3-Octanone
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
NSC
60161
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
MERCK INDEX
m8112
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY Merck Index
CAS
106-68-3
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
MESH
C017582
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
FDA UNII
79173B4107
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID3041954
Created by admin on Fri Dec 15 18:59:27 UTC 2023 , Edited by admin on Fri Dec 15 18:59:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
ASSAY (GC)