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| CAS No.: | 11103-57-4 |
|---|---|
| Name: | Vitamin A |
| Molecular Structure: | |
|
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| Formula: | C20H30O |
| Molecular Weight: | 286.46 |
| Synonyms: | Chocola A;Hydrovit A;Lutavit A;Microvit A;Rovimix A 500;Retinol; |
| EINECS: | 234-328-2 |
| Density: | 0.954 g/cm3 |
| Melting Point: | 62-64oC |
| Boiling Point: | 421.2 °C at 760 mmHg |
| Flash Point: | 147.3 °C |
| Appearance: | Yellow crystals or orange solid |
| Hazard Symbols: | T |
| Risk Codes: | 61 |
| Safety: | 53-45 |
| PSA: | 20.23000 |
| LogP: | 5.51030 |
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Specification
Vitamin A, with the cas register number 11103-57-4, also can be called Aquasol A; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-nona-2,4,6,8-tetraen-1-ol; and Retinol. Its classification code are Growth Substances; Micronutrients and Vitamins. Vitamin A is a vitamin. It can be found in many fruits, vegetables, eggs, whole milk, butter, fortified margarine, meat, and oily saltwater fish. It can also be made in a laboratory. Vitamin A is used for treating vitamin A deficiency. It is also used to reduce complications of diseases such as malaria, HIV, measles, and diarrhea in children with vitamin A deficiency.
Physical properties about Vitamin A are: (1)ACD/LogP: 6.841; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.84; (4)ACD/LogD (pH 7.4): 6.84; (5)ACD/BCF (pH 5.5): 93126.40; (6)ACD/BCF (pH 7.4): 93126.40; (7)ACD/KOC (pH 5.5): 125441.60; (8)ACD/KOC (pH 7.4): 125441.60; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 95.498 cm3; (14)Molar Volume: 300.031 cm3; (15)Polarizability: 37.858 10-24cm3; (16)Surface Tension: 36.6220016479492 dyne/cm; (17)Density: 0.955 g/cm3; (18)Flash Point: 147.301 °C; (19)Enthalpy of Vaporization: 77.989 kJ/mol; (20)Boiling Point: 421.248 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+;
(2)InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N;
(3)SmilesC=1(C(CCCC1C)(C)C)\C=C\C(=C\C=C\C(=C\CO)C)C;