CAS No.13429-27-1,POTASSIUM MYRISTATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13429-27-1
Name:	POTASSIUM MYRISTATE
Article Data:	3

Formula:	C₁₄H₂₈KO₂
Molecular Weight:	266.465
Synonyms:	Myristicacid, potassium salt (8CI);Tetradecanoic acid, potassium salt (9CI);NonsoulMK 1;Potassium myristate;Potassium n-tetradecanoate;Potassium tetradecanoate;
EINECS:	236-550-5
Boiling Point:	319.6 °C at 760 mmHg
Flash Point:	144.8 °C
PSA:	40.13000
LogP:	3.43740

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Specification

The Tetradecanoic acid,potassium salt (1:1), with CAS registry number 13429-27-1, has the systematic name of potassium tetradecanoate. Besides this, its IUPAC name is potassium tetradecanoate. And the chemical formula of this chemical is C₁₄H₂₈KO₂. What's more, its EINECS is 236-550-5.

Physical properties of Tetradecanoic acid,potassium salt (1:1): (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 4011.14; (6)ACD/BCF (pH 7.4): 64.35; (7)ACD/KOC (pH 5.5): 7846.04; (8)ACD/KOC (pH 7.4): 125.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 144.8 °C; (14)Enthalpy of Vaporization: 59.25 kJ/mol; (15)Boiling Point: 319.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000139 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-]C(=O)CCCCCCCCCCCCC
(2)InChI: InChI=1/C14H28O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1
(3)InChIKey: PYJBVGYZXWPIKK-REWHXWOFAU
(4)Std. InChI: InChI=1S/C14H28O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1
(5)Std. InChIKey: PYJBVGYZXWPIKK-UHFFFAOYSA-M