Basic information
- Name:
Sorbitan laurate
- CAS No.:
1337-30-0
- Molecular Structure:
- Formula:
- C18H34O6
- Molecular Weight:
- 346.459
- Synonyms:
- Newcol 28;Sorbitan,dodecanoate;Rikemal L 250A;Poem L 20;Rikemal L 300;Crill 1;
- Density:
- 1.123 g/cm3
- Boiling Point:
- 516.121 °C at 760 mmHg
- Flash Point:
- 176.947 °C
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Specification
The Sorbitan laurate is an organic compound with the formula C18H34O6. The systematic name of this chemical is 1,4-anhydro-6-O-dodecanoyl-D-glucitol. With the CAS registry number 1337-30-0, it is also named as 1,4-Anhydro-D-glucitol, 6-dodecanoate.
Physical properties about Sorbitan laurate are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 1467; (5)ACD/BCF (pH 7.4): 1467; (6)ACD/KOC (pH 5.5): 6430; (7)ACD/KOC (pH 7.4): 6430; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 96.22 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 91.369 cm3; (14)Molar Volume: 308.405 cm3; (15)Polarizability: 36.222×10-24cm3; (16)Surface Tension: 47.656 dyne/cm; (17)Density: 1.123 g/cm3; (18)Flash Point: 176.947 °C; (19)Enthalpy of Vaporization: 90.71 kJ/mol; (20)Boiling Point: 516.121 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O)CCCCCCCCCCC
(2)InChI: InChI=1/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3/t14-,15+,17+,18+/m0/s1
(3)InChIKey: LWZFANDGMFTDAV-BURFUSLBBI
(4)Std. InChI: InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3/t14-,15+,17+,18+/m0/s1
(5)Std. InChIKey: LWZFANDGMFTDAV-BURFUSLBSA-N