CAS No.542-42-7,CALCIUM PALMITATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	542-42-7
Name:	CALCIUM PALMITATE
Article Data:	2

Formula:	C₃₂H₆₂CaO₄
Molecular Weight:	550.92
Synonyms:	Hexadecanoicacid, calcium salt (9CI);Palmitic acid, calcium salt (8CI);Calcium palmitate;
EINECS:	208-811-3
Melting Point:	decomposes above 155℃ [MER06]
Boiling Point:	340.6 °C at 760 mmHg
Flash Point:	154.1 °C
Solubility:	insoluble H2O, alcohol, ether, acetone; slightly soluble benzene [MER06]
PSA:	52.60000
LogP:	10.95040

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Specification

The Hexadecanoic acid,calcium salt (2:1), with the CAS registry number 542-42-7, is also known as Calcium Palmitate. Its EINECS registry number is 208-811-3. This chemical's molecular formula is C₃₂H₆₂CaO₄and molecular weight is 550.91. What's more, both its IUPAC name and systematic name are the same which is called Calcium dihexadecanoate.

Physical properties about Hexadecanoic acid,calcium salt (2:1) are: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 25739; (6)ACD/BCF (pH 7.4): 413; (7)ACD/KOC (pH 5.5): 29678; (8)ACD/KOC (pH 7.4): 476; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 154.1 °C; (14)Enthalpy of Vaporization: 61.66 kJ/mol; (15)Boiling Point: 340.6 °C at 760 mmHg; (16)Vapour Pressure: 3.28E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/2C16H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
(3)InChIKey: HRBZRZSCMANEHQ-NUQVWONBAN