Basic information
- CAS
13747-30-3- Standard SMILES
CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ca+2]- InChIKey
FKYAWWVVKRUUFY-UHFFFAOYSA-L- Molecular formula
- C20H38CaO4
- Average molar mass
- 382.6 g/mol
- Monoisotopic mass
- 382.2396005
Names & identifiers
- Preferred name
- Calcium decanoate
- IUPAC
- calcium bis(decanoate)
- English name
- calcium decanoate
- Molecular formula
- C10H20O2.1/2Ca
- Molecular weight
- 192.31
Names & synonyms
Calcium decanoate13747-30-3Calcium bis(caprate)Decanoic acid, calcium saltDecanoic acid, calcium salt (2:1)UN1THB9OLLUNII-UN1THB9OLLEINECS 237-328-0DTXSID10890717RefChem:122810DTXCID901029965237-328-0
Show more names
CALCIUMCAPRATECapric acid calcium saltDidecanoic acid calcium salt
Calcium capratecalcium;decanoatecalcium didecanoateSCHEMBL453322NS00085747Q27291153
Database identifiers
- CAS
13747-30-3- PubChem CID
- 61674
- DTXSID
DTXSID10890717- UNII
- UN1THB9OLL
- EC Number
- 237-328-0
- Nikkaji
- J98.114A
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 105
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
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- LogP
- 3.965 · 3.965 (est)
- Substances Added to Food (formerly EAFUS)
- CALCIUM CAPRATE
- FDA 21 CFR
- 175.3 · 175.300
- FDA UNII
- 1 THB9OLL · UN1THB9OLL
- EPA Substance Registry System
- Decanoic acid, calcium salt (13747-30-3)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Decanoic acid, calcium salt
Other Safety InformationIMAP assessments - Decanoic acid, calcium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFood Additives -> ANTICAKING_AGENT; EMULSIFIER -> JECFA Functional Classes
General Manufacturing InformationDecanoic acid, calcium salt (2:1): ACTIVE
Suppliers5 total
江阴市贝壳化学有限公司0510-15312220685 15312220685 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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