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Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H15O2.Ca
Molecular Weight 326.4856
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM OCTANOATE

SMILES

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2]

InChI

InChIKey=NDWWLJQHOLSEHX-UHFFFAOYSA-L
InChI=1S/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H15O2
Molecular Weight 143.2038
Charge -1
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 Sat Jun 26 07:32:14 UTC 2021
Edited
by admin
on Sat Jun 26 07:32:14 UTC 2021
Record UNII
606VZD154T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM OCTANOATE
Systematic Name English
CALCIUM CAPRYLATE
Common Name English
N-OCTANOIC ACID, CALCIUM SALT
Common Name English
CALCIUM N-OCTANOATE
Common Name English
OCTANOIC ACID, CALCIUM SALT
Common Name English
CAPRYLIC ACID CALCIUM SALT
Common Name English
CALCIUM CAPRYLATE [WHO-DD]
Common Name English
Classification Tree Code System Code
DSLD 4193 (Number of products:2)
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
Code System Code Type Description
CAS
6107-56-8
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
PRIMARY
EPA CompTox
6107-56-8
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
PRIMARY
FDA UNII
606VZD154T
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
PRIMARY
EVMPD
SUB77921
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
PRIMARY
PUBCHEM
16610
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
PRIMARY
ECHA (EC/EINECS)
228-067-3
Created by admin on Sat Jun 26 07:32:14 UTC 2021 , Edited by admin on Sat Jun 26 07:32:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE