CAS No.4696-56-4,CALCIUM LAURATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4696-56-4
Name:	CALCIUM LAURATE

Formula:	C₂₄H₄₆CaO₄
Molecular Weight:	438.705
Synonyms:	Dodecanoicacid, calcium salt (9CI);Lauric acid, calcium salt (8CI);C 12 (salt);Calcium dodecanoate;Calcium laurate;Stavinor 330;
EINECS:	225-166-3
Melting Point:	43.8oC
Boiling Point:	296.1 °C at 760 mmHg
Flash Point:	134.1 °C
PSA:	80.26000
LogP:	5.31440

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Specification

The Calcium dodecanoate, with the CAS registry number 4696-56-4, is also known as Dodecanoic acid, calcium salt (2:1). Its EINECS registry number is 225-166-3. This chemical's molecular formula is C₂₄H₄₆CaO₄ and molecular weight is 438.7. Its IUPAC name is called calcium dodecanoate.

Physical properties of Calcium dodecanoate: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 628; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 2083; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Flash Point: 134.1 °C; (13)Enthalpy of Vaporization: 56.59 kJ/mol; (14)Boiling Point: 296.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000661 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ca+2]
(2)InChI: InChI=1S/2C12H24O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2
(3)InChIKey: HIAAVKYLDRCDFQ-UHFFFAOYSA-L