Product Name

  • Name

    PALMITYL LAURATE

  • EINECS 244-071-8
  • CAS No. 20834-06-4
  • Article Data8
  • CAS DataBase
  • Density 0.859 g/cm3
  • Solubility
  • Melting Point 40-41 °C
  • Formula C28H56O2
  • Boiling Point 462.2 °C at 760 mmHg
  • Molecular Weight 424.751
  • Flash Point 240.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 20834-06-4 (PALMITYL LAURATE)
  • Hazard Symbols
  • Synonyms Lauricacid, hexadecyl ester (6CI,8CI);1-Hexadecanol, laurate (8CI);Cetyl laurate;Hexadecyl dodecanoate;Hexadecyl laurate;
  • PSA 26.30000
  • LogP 9.93180

Dodecanoicacid, hexadecyl ester Specification

The CAS registry number of Dodecanoicacid, hexadecyl ester is 20834-06-4. This chemical is also named as Hexadecyl laurate. Its EINECS registry number is 244-071-8. In addition, its molecular formula is C28H56O2 and molecular weight is 424.74. Its systematic name and IUPAC name are the same which is called hexadecyl dodecanoate.

Physical properties about Dodecanoicacid, hexadecyl ester are: (1)ACD/LogP: 13.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.46; (4)ACD/LogD (pH 7.4): 13.46; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 26; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 133.54 cm3; (14)Molar Volume: 494.2 cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Density: 0.859 g/cm3; (17)Flash Point: 240.8 °C; (18)Enthalpy of Vaporization: 72.32 kJ/mol; (19)Boiling Point: 462.2 °C at 760 mmHg.

Preparation: this chemical can be prepared by dodecanoic acid and hexadecan-1-ol. This reaction will need catalyst lipase and solvent hexane. The reaction time is 4 hours. The yield is about 94 %.

Dodecanoicacid, hexadecyl ester can be prepared by dodecanoic acid and hexadecan-1-ol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCC
(2)InChI: InChI=1/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3
(3)InChIKey: VWOKINHIVGKNRX-UHFFFAOY

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