Name: CADMIUM 2-ETHYLHEXANOATE
SKU: 2420-98-6

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Basic Information

Molecular Structure:
CAS No.:	2420-98-6
Name:	CADMIUM 2-ETHYLHEXANOATE

Formula:	C₈H₁₆O₂.1/2Cd
Molecular Weight:	398.82
Synonyms:	Hexanoicacid, 2-ethyl-, cadmium salt (8CI,9CI);Cadmium2-ethylhexoate;Cadmium bis(2-ethylhexanoate);Cadmium ethylhexanoate;
EINECS:	219-346-0
Boiling Point:	228 °C at 760 mmHg
Flash Point:	116.6 °C
PSA:	80.26000
LogP:	1.90290

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Specification

The CAS registry number of Hexanoic acid,2-ethyl-, cadmium salt (2:1) is 2420-98-6. With the EINECS registry number 219-346-0, its systematic name is cadmium bis(2-ethylhexanoate). In addition, the molecular formula is C₈H₁₆O₂.1/2Cd and the molecular weight is 398.82. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Hexanoic acid,2-ethyl-, cadmium salt (2:1) are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.98; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 116.6 °C; (14)Enthalpy of Vaporization: 51.18 kJ/mol; (15)Boiling Point: 228 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cd+2].[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC
(2)Std. InChI: InChI=1S/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
(3)Std. InChIKey: RXROCZREIWVERD-UHFFFAOYSA-L