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Details

Stereochemistry RACEMIC
Molecular Formula C13H26O2
Molecular Weight 214.3443
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEPTYL HEXANOATE

SMILES

CCCCCC(C)OC(=O)CCCCC

InChI

InChIKey=PPQPRIGCIRJGJH-UHFFFAOYSA-N
InChI=1S/C13H26O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h12H,4-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H26O2
Molecular Weight 214.3443
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:54 GMT 2023
Record UNII
8KIQ67GW3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEPTYL HEXANOATE
Systematic Name English
2-HEPTYL HEXANOATE, (±)-
Systematic Name English
NSC-53804
Code English
HEXANOIC ACID, 1-METHYLHEXYL ESTER
Systematic Name English
Code System Code Type Description
NSC
53804
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
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FDA UNII
8KIQ67GW3S
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
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ECHA (EC/EINECS)
229-582-6
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
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EPA CompTox
DTXSID80863918
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
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PUBCHEM
97881
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
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CAS
6624-58-4
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
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