Basic information
- CAS
16426-50-9- Standard SMILES
O=C([O-])CC(O)C(=O)[O-].[Ca+2]- InChIKey
OLOZVPHKXALCRI-UHFFFAOYSA-L- Molecular formula
- C4H4CaO5
- Average molar mass
- 172.15 g/mol
- Monoisotopic mass
- 171.9684641
Overview
See also: Calcium Cation (has active moiety).
Names & identifiers
- Preferred name
- Calcium malate
- IUPAC
- calcium 2-hydroxybutanedioate
- English name
- CalciumMalate21%
- Molecular formula
- C4H4CaO5
- Molecular weight
- 172.14956
Names & synonyms
Calcium malate17482-42-7calcium dl-malate16426-50-9UNII-D48OP746DWD48OP746DWEINECS 241-498-1Butanedioic acid, hydroxy-, calcium salt (1:1)CALCIUM MALATE, DL-DL-MONOCALCIUM MALATEINS NO.352(II)CALCIUM MALATE [WHO-DD]
Show more names
CalciumMalate21%
INS-352(II)MONOCALCIUM MALATE, D, L-E-352(II)RefChem:122856Calcium salt of malic acid241-498-1calcium 2-hydroxysuccinatecalcium;2-hydroxybutanedioate
Database identifiers
- CAS
16426-50-9、17482-42-7- PubChem CID
- 167659
- DTXSID
DTXSID30936929- UNII
- D48OP746DW
- EC Number
- 241-498-1
- Nikkaji
- J248.901E
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
SolubilitySlightly soluble in water
Physical DescriptionWhite powder
Physicochemical properties
- FDA UNII
- 48 OP746DW · D48OP746DW
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationRegulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
Use Classification
Food additives
Food Additives -> ACIDITY_REGULATOR; FLAVOUR_ENHANCER -> JECFA Functional Classes
Applications
UsesCalcium malate consists of calcium and malic acid.
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
长沙晶康新材料科技有限公司0733-0731-85118349 18229890050 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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