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Basic Information
CAS No.: 68987-29-1
Name: 1-Octadecanol, phosphate, potassium salt
Molecular Structure:
Molecular Structure of 68987-29-1 (1-Octadecanol, phosphate, potassium salt)
Formula: C18H41KO4P
Molecular Weight: 391.59
Synonyms: Mono and diesters of stearyl alcohol phosphated, potassium salt;octadecane; phosphoric acid; potassium;56645-00-2;Potassium octadecyl phosphate;
EINECS: 273-489-3
Density: 1.1[at 20℃]
Boiling Point: 316.3 °C at 760 mmHg
Flash Point: 165.6 °C
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Specification

The 1-Octadecanol, phosphate, potassium salt, with the CAS registry number 68987-29-1, is also known as Mono and diesters of stearyl alcohol phosphated, potassium salt. Its EINECS number is 273-489-3. This chemical's molecular formula is C18H41KO4P and formula weight is 391.59. What's more, its IUPAC name is octadecane, potassium salt, compd. with phosphoric acid (1:1).

Physical properties of 1-Octadecanol, phosphate, potassium salt are: (1)ACD/LogP: 10.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.32; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 9793947; (6)#Freely Rotating Bonds: 15; (7)Flash Point: 165.6 °C; (8)Enthalpy of Vaporization: 53.54 kJ/mol; (9)Boiling Point: 316.3 °C at 760 mmHg; (10)Vapour Pressure: 0.000769 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCC.OP(=O)(O)O.[K]
(2)InChI: InChI=1S/C18H38.K.H3O4P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h3-18H2,1-2H3;;(H3,1,2,3,4)
(3)InChIKey: HFQLXRQLKSICDE-UHFFFAOYSA-N