Molecular Structure of Calcium acetylacetonate (CAS NO.19372-44-2):
IUPAC Name: Calcium (Z)-4-oxopent-2-en-2-olate
Canonical SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ca+2]
Isomeric SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ca+2]
InChI: InChI=1S/2C5H8O2.Ca/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
InChIKey: QAZYYQMPRQKMAC-FDGPNNRMSA-L
Molecular Weight: 238.29376 [g/mol]
Molecular Formula: C10H14CaO4
H-Bond Donor: 0
H-Bond Acceptor: 4
EINECS: 243-001-3
Product Categories: Pharmaceutical Intermediates; Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds
Flash Point: 71.9 °C
Enthalpy of Vaporization: 49.32 kJ/mol
Boiling Point: 187.6 °C at 760 mmHg
Vapour Pressure: 0.174 mmHg at 25 °C
Melting Point: 175 °C (dec.)
Classification Code: TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]
Calcium acetylacetonate (CAS NO.19372-44-2) is used for halogenated polymer heat stabilizer,such as in rigid PVC.
Safety Information of Calcium acetylacetonate (CAS NO.19372-44-2):
Hazard Codes: Xn
Risk Statements: 36/37/38-63-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
R63:Possible risk of harm to the unborn child.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
TSCA: Yes
Calcium acetylacetonate (CAS NO.19372-44-2), its Synonyms are Calcium-bis(acetylacetonate) ; 2,4-Pentanedione, ion(1-), calcium ; 2,4-Pentanedione, ion(1-), calcium salt (2:1) ; Bis(pentane-2,4-dionato)calcium ; Calcium, bis(2,4-pentanedionato-O,O')- .
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