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Details

Stereochemistry ACHIRAL
Molecular Formula C12H24O
Molecular Weight 184.3184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-4-UNDECANONE

SMILES

CCCCCCCC(=O)CC(C)C

InChI

InChIKey=IEBAJFDSHJYDCK-UHFFFAOYSA-N
InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H24O
Molecular Weight 184.3184
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 Tue Apr 01 23:03:01 GMT 2025
Edited
by admin
on Tue Apr 01 23:03:01 GMT 2025
Record UNII
LN53YFA9O0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-4-UNDECANONE
Systematic Name English
NSC-60572
Preferred Name English
ISOBUTYL N-HEPTYL KETONE
Systematic Name English
ISOBUTYL HEPTYL KETONE
Common Name English
4-UNDECANONE, 2-METHYL-
Systematic Name English
HEPTYL ISOBUTYL KETONE
Common Name English
Code System Code Type Description
PUBCHEM
246924
Created by admin on Tue Apr 01 23:03:01 GMT 2025 , Edited by admin on Tue Apr 01 23:03:01 GMT 2025
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FDA UNII
LN53YFA9O0
Created by admin on Tue Apr 01 23:03:01 GMT 2025 , Edited by admin on Tue Apr 01 23:03:01 GMT 2025
PRIMARY
CAS
19594-40-2
Created by admin on Tue Apr 01 23:03:01 GMT 2025 , Edited by admin on Tue Apr 01 23:03:01 GMT 2025
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ECHA (EC/EINECS)
243-176-6
Created by admin on Tue Apr 01 23:03:01 GMT 2025 , Edited by admin on Tue Apr 01 23:03:01 GMT 2025
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EPA CompTox
DTXSID3066508
Created by admin on Tue Apr 01 23:03:01 GMT 2025 , Edited by admin on Tue Apr 01 23:03:01 GMT 2025
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NSC
60572
Created by admin on Tue Apr 01 23:03:01 GMT 2025 , Edited by admin on Tue Apr 01 23:03:01 GMT 2025
PRIMARY