CALCIUM OCTANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C8H15O2.Ca
Molecular Weight	326.485
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM OCTANOATE

Structure Search

SMILES

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

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	143.2035
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 `Mon Mar 31 19:02:56 GMT 2025` Edited by `admin` on `Mon Mar 31 19:02:56 GMT 2025`
Record UNII	606VZD154T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM CAPRYLATE

Preferred Name

English

CALCIUM OCTANOATE

Systematic Name

English

Calcium caprylate [WHO-DD]

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

Classification Tree Code System Code

DSLD

4193 (Number of products:2)

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

Code System Code Type Description

CAS

6107-56-8

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

PRIMARY

EPA CompTox

DTXSID7052280

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

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FDA UNII

606VZD154T

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

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EVMPD

SUB77921

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

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SMS_ID

100000138418

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

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PUBCHEM

16610

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

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ECHA (EC/EINECS)

228-067-3

Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025

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