Calcium Linoleate
Basic information
- CAS
19704-83-7- Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Ca+2]- InChIKey
ROZZMLUWBPPEMU-GRVYQHKQSA-L- Molecular formula
- C36H62CaO4
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 598.4274013
Overview
Calcium linoleate is an organic calcium salt. It contains a linoleate.
Names & identifiers
- Preferred name
- Calcium Linoleate
- IUPAC
- calcium bis((9Z,12Z)-octadeca-9,12-dienoate)
- English name
- CALCIUM LINOLEATE
- Molecular formula
- C36H62CaO4
- Molecular weight
- 598.95
Names & synonyms
Calcium linoleate19704-83-7Calcium dilinoleateUNII-WA24QBU66JLinoleic acid, calcium saltWA24QBU66JLINOCALCIUM9,12-Octadecadienoic acid (9Z,12Z)-, calcium saltCalcium linoleate (JAN)EINECS 243-241-9CALCIUM LINOLEATE [JAN]9,12-Octadecadienoic acid (9Z,12Z)-, calcium salt (2:1)
Show more names
Bislinoleic acid calcium saltBis(linoleic acid) calcium saltCalcium cis,cis-9,12-octadecadienoate12-octadecadienoicacid(z,z)-calciumsaltBis[(9Z,12Z)-9,12-octadecadienoic acid] calcium salt
DTXSID2010154549,12-Octadecadienoic acid (Z,Z)-, calcium saltRefChem:122852DTXCID601473733calcium;(9Z,12Z)-octadeca-9,12-dienoateSCHEMBL136482orb2815759CHEBI:31343
Database identifiers
- CAS
19704-83-7- PubChem CID
- 9851630
- DTXSID
DTXSID201015454- ChEBI
CHEBI:31343- UNII
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- CALCIUM LINOLEATE
- FDA 21 CFR
- 175.3 · 175.300
- FDA UNII
- 24 QBU66J · WA24QBU66J
- EPA Substance Registry System
- 9 · 9,12-Octadecadienoic acid (9Z,12Z)-, calcium salt (19704-83-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 9,12-Octadecadienoic acid, (Z,Z)-, calcium salt
Other Safety InformationIMAP assessments - 9,12-Octadecadienoic acid, (Z,Z)-, calcium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,12-Octadecadienoic acid (9Z,12Z)-, calcium salt (2:1): ACTIVE
Additional notes
DefinitionChEBI: Calcium linoleate is an organic calcium salt. It contains a linoleate.
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Related reactions
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Compound notes
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