Basic information
- Name:
L-Ascorbic acid,6-octadecanoate
- Superlist Name:
- L-Ascorbic acid 6-stearate
- CAS No.:
10605-09-1
- Molecular Structure:
- Formula:
- C24H42O7
- Molecular Weight:
- 442.59
- Synonyms:
- L-Ascorbicacid, 6-stearate (8CI);Stearic acid, 6-ester with L-ascorbic acid (8CI);6-O-Stearylascorbic acid;Ascorbic acid 6-stearate;Ascorbyl 6-stearate;E 305;L-Ascorbic acid monostearate;L-Ascorbyl6-octadecanoate;
- EINECS:
- 234-231-5
- Density:
- 1.125 g/cm3
- Melting Point:
- 117 °C
- Boiling Point:
- 536 °C at 760 mmHg
- Flash Point:
- 168.5 °C
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Specification
The cas register number of L-Ascorbic acid 6-stearate is 10605-09-1. It also can be called as 6-O-Stearylascorbic acid and the IUPAC Name about this chemical is [2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl] octadecanoate. It belongs to the following product categories, such as Biochemistry, Sugar Acids, Sugars and so on.
Physical properties about L-Ascorbic acid 6-stearate are: (1)ACD/LogP: 7.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.86; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 8315.4; (6)ACD/BCF (pH 7.4): 158.48; (7)ACD/KOC (pH 5.5): 9713.45; (8)ACD/KOC (pH 7.4): 185.13; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 113.29Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 118.89 cm3; (15)Molar Volume: 393.2 cm3; (16)Polarizability: 47.13x10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Enthalpy of Vaporization: 93.45 kJ/mol; (19)Boiling Point: 536 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC=1C(OC(=O)C=1O)C(O)COC(=O)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3
(3)InChIKey: LITUBCVUXPBCGA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3
(5)Std. InChIKey: LITUBCVUXPBCGA-UHFFFAOYSA-N