CAS 114460-21-8 Calcium acetate monohydrate (HCID 82163)

Names & identifiers

Preferred name: Calcium acetate monohydrate
IUPAC: calcium;diacetate;hydrate
English name: CALCIUM ACETATE HYDRATE
Molecular formula: C4H8CaO5
Molecular weight: 176.18

Names & synonyms

Calcium acetate monohydrate5743-26-0Calcium acetate hydrate114460-21-8Calcium diacetate monohydrateACETIC ACID, CALCIUM SALT, MONOHYDRATECalcium acetate, monohydrate7ZA48GIM5HUNII-7ZA48GIM5Hcalcium acetate--water (1/1)Ca(OAc)2.H2OCALCIUM ACETATE HYDROUS [WHO-DD]

Show more names

CALCIUM ACETATE H2O99.9965% (metals basis)CALCIUM ACETATE AR,ACSCalcium Acetate XhydrateHydrated calcium acetateCALCIUM ACETATE, HYDRATEDCALCIUM ACETATE N-HYDRATECALCIUM ACETATE HYDRATE ARCALCIUM ACETATE, HEMIHYDRATE

CALCIUM ACETATE MONOHYDRATE [MI]DTXSID6074257CHEBI:59199calcium acetate hydrate (1:2:1)RefChem:122758CALCIUM ACETATE HYDROUSDTXCID2042220611-528-1

Database identifiers

CAS: 114460-21-8、5743-26-0
PubChem CID: 82163
DTXSID: DTXSID6074257
ChEBI: CHEBI:59199
UNII: 7ZA48GIM5H
EC Number: 611-528-1

Properties

Computed structural properties

Topological polar surface area: 81.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 25

Experimental & physicochemical properties

Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 160 °C · 160 °C
bulk density: 400 kg/m3 · 400kg/m3
Density: 1.5 · 1.5
storage temp.: Storage temperature: no restrictions.
solubility: 2 O: · H2O: soluble1M at 20°C, clear, colorless
form: Powder or Agglomerates
color: white
PH: 7.2 · 7.2-7.8 (50g/l, H2O, 20℃)
Odor: Slight acetic acid odor
PH Range: 7.6 · 7.6
Water Solubility: Soluble in water. Slightly soluble in methanol, hydrazine insoluble in acetone, ethanol and benzene.
Sensitive: Hygroscopic
λmax: 260 nm · λ: 260 nm Amax: 0.090λ: 280 nm Amax: 0.070
Merck: 14 · 14,1646
BRN: 3692527 · 3692527
InChI: 1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
InChIKey: XQKKWWCELHKGKB-UHFFFAOYSA-L
SMILES: O.CC(=O)O[Ca]OC(C)=O
UNSPSC Code: 12352302 · 12352302
NACRES: 31 · NA.31
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-36
WGK Germany: 1 · 1
RTECS: 7525000 · AF7525000
Autoignition Temperature: 680 · 680 - 730 °C
TSCA: Yes
HS Code: 2915 · 2915 29 00
Storage Class: 11 · 11 - Combustible Solids
Toxicity: 50 orally · LD50 orally in Rabbit: 4280 mg/kg

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 38 reports by companies.；There are 0 notifications provided by 0 of 38 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Calcium acetate hydrate: Does not have an individual approval but may be used under an appropriate group standard

Acetic acid, calcium salt, monohydrate: 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.

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Calcium acetate.

Hazard Classes and CategoriesNot Classified

Regulatory information

Regulatory Information · 2 items

Calcium acetate hydrate: Does not have an individual approval but may be used under an appropriate group standard

Acetic acid, calcium salt, monohydrate: 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.

Safety data

wgk: 1
tsca: Yes
rtecs: AF7525000
hs_code: 2915 29 00
Toxicity: LD50 orally in Rabbit: 4280 mg/kg
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Autoignition Temperature: 680 - 730 °C
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesUsed to precipitate oxalates; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Applications · 1 item

UsesCalcium acetate hydrate is used as a precursor to produce calcium ions in the development of calcium oxide based mesoporous carbon dioxide sorbent. It is an active component of pyroligneous acid-modified limestone. It is employed in the preparation of magnetite-calcium phosphate core-shell nanoparticles. It serves as a raw material in the preparation of hydroxyapatite-wollastonite composites. Further, it acts as a crosslinking agent in the microfluidic production of alginate hydrogel microbeads. In addition to this, it is used to induce crystallization of proteins.