Basic information
- CAS
2090-05-3- Standard SMILES
O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ca+2]- InChIKey
NSQPPSOSXWOZNH-UHFFFAOYSA-L- Molecular formula
- C14H10CaO4
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.0204996
Names & identifiers
- Preferred name
- Calcium Benzoate
- IUPAC
- calcium dibenzoate
- English name
- Calcium benzoate
- Molecular formula
- C7H8CaO2
- Molecular weight
- 164.22
Names & synonyms
Calcium benzoateCalcium dibenzoate2090-05-3Benzoic acid, calcium salt3QDE968MKDBENZOCALOLMONOCALCIUM BENZOATEUNII-3QDE968MKDCALCIUM BENZOATE [FCC]INS NO.213DTXSID4044612INS-213
Show more names
CalciumdibenzoatBenzoic acid calciumBenzoicacid,calciumsaltCALCIUM BENZOATE REAGENTDibenzoic acid calcium saltDi(benzoic acid)calcium saltBis(benzoic acid)calcium saltBenzoic acid, calcium salt (2:1)
CALCIUM BENZOATE [USP-RS]CALCIUM BENZOATE (E 213)EINECS 218-235-4E-213CALCIUM BENZOATE (USP-RS)E Number: 213RefChem:122766CALCIUM BENZOATE [INCI]
Database identifiers
- CAS
2090-05-3- PubChem CID
- 62425
- DTXSID
DTXSID4044612- UNII
- 3QDE968MKD
- EC Number
- 218-235-4
- Nikkaji
- J38.386D
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 98
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Calcium Benzoate) -> CIR (Cosmetic Ingredient Review)
Preservative
Food AdditivesANTIMICROBIAL AGENT -> FDA Substance added to food
Melting Pointfor benzoic acidMelting range of benzoic acid isolated by acidification and not recrystallised 121,5 °C to 123,5 °C, after vacuum drying in a sulphuric acid desiccator
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionWhite or colourless crystals, or white powder
Physicochemical properties
- Boiling point
- 249.2 ℃[at · 249.2℃[at 101 325 Pa]
- Density
- 1.42 · 1.42[at 20℃]
- vapor pressure
- 0.093 Pa · 0.093Pa at 25℃
- Water Solubility
- Soluble in water (2.6 g/100ml at 0°C).
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 16.7% (11 of 66) of reports.
Warning
H319 (83.3%): 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)
Aggregated GHS information provided per 66 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, calcium salt
Regulation (EC) No 257/2010
REACH registered substance: Calcium dibenzoate (EC: 218-235-4)
Calcium benzoate: 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 - Benzoic acid, calcium salt: Environment tier I assessment
Hazard Classes and CategoriesEye Irrit. 2 (83.3%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Calcium Benzoate
Use Classification
Food additives
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Cosmetics -> Preservative
General Manufacturing InformationBenzoic acid, calcium salt (2:1): ACTIVE
Applications
DescriptionCalcium benzoate refers to the calcium salt of benzoic acid. When used in the food industry as a preservative, its E number is E213 (INS number 213); it is approved for use as a food additive in the EU, USA and Australia and New Zealand. The formulas and structures of calcium carboxylate derivatives of calcium and related metals are complex. Generally the coordination number is eight and the carboxylates form Ca-O bonds. Another variable is the degree of hydration.
UsesCalcium benzoate hydrate is used in used in the food industry as a preservative. It is also utilized as a preservative and growth promoter in the feed industry.
Preparation methods
PreparationCalcium benzoate is prepared by reacting benzoic acid and calcium bicarbonate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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