Basic information
- CAS
2191-10-8- Standard SMILES
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2]- InChIKey
NDWWLJQHOLSEHX-UHFFFAOYSA-L- Molecular formula
- C16H30CaO4
- Average molar mass
- 326.48 g/mol
- Monoisotopic mass
- 326.1770003
Overview
See also: Octanoic acid, cadmium salt (2:1) (annotation moved to).
Names & identifiers
- Preferred name
- Calcium octanoate
- IUPAC
- calcium bis(octanoate)
Names & synonyms
CALCIUM OCTANOATEcalcium caprylateOctanoic acid, calcium salt6107-56-8606VZD154TDTXSID7052280RefChem:1080697DTXCID7030852228-067-3Cadmium octoateCalcium di(octanoate)Cadmium caprylate
Show more names
Cadmium di(octanoate)Cadmium octanoateOctanoic acid, cadmium saltOctanoic acid, calcium salt (2:1)UNII-606VZD154TCALCIUM DIOCTANOATEEINECS 228-067-3CALCIUM N-OCTANOATE
Database identifiers
- CAS
2191-10-8、6107-56-8- PubChem CID
- 16610
- DTXSID
DTXSID7052280- UNII
- 606VZD154T
- EC Number
- 228-067-3
- Nikkaji
- J43.238E
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 83.7
Experimental & physicochemical properties
Food AdditivesANTICAKING AGENT OR FREE-FLOW AGENT, EMULSIFIER OR EMULSIFIER SALT, LUBRICANT OR RELEASE AGENT -> FDA Substance added to food
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (8 of 113) of reports.
Warning
H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Octanoic acid, calcium salt
Directive (EC) No 46/2002
REACH registered substance: Calcium di(octanoate) (EC: 228-067-3)
Octanoic acid, calcium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Octanoic acid, calcium salt: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (92%)
Chemistry & industry
Uses & manufacturing
Use ClassificationFood Additives -> ANTICAKING_AGENT; EMULSIFIER -> JECFA Functional Classes
General Manufacturing InformationOctanoic acid, calcium salt (2:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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