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| CAS No.: | 474-62-4 |
|---|---|
| Name: | CAMPESTEROL |
| Molecular Structure: | |
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| Formula: | C28H48O |
| Molecular Weight: | 400.689 |
| Synonyms: | Campesterol(6CI);Ergost-5-en-3b-ol, (24R)- (8CI);(24R)-24-Methylcholest-5-en-3b-ol;(24R)-5-Ergosten-3b-ol;(24R)-Methylcholest-5-en-3b-ol;24(R)-Methylcholesterol;24a-Methyl-5-cholesten-3b-ol;24a-Methylcholesterol;Campasterol;Campesterin;NSC 224330;D5-24-Isoergosten-3b-ol; |
| EINECS: | 207-484-4 |
| Density: | 0.98 g/cm3 |
| Melting Point: | 156-160 °C |
| Boiling Point: | 489.5 °C at 760 mmHg |
| Flash Point: | 214.3 °C |
| Hazard Symbols: |
 Xn, T
|
| Risk Codes: | 20/21/22-36/37/38-48/20/22-40-38-22 |
| Safety: | 26-36-45-36/37/39-23 |
| Transport Information: | UN 1888 6.1/PG 3 |
| PSA: | 20.23000 |
| LogP: | 8.40550 |
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Specification
The CAS register number of Ergost-5-en-3-ol, (3β,24R)- is 474-62-4. It also can be called as Campasterol and the systematic name about this chemical is (3β,24R)-ergost-5-en-3-ol. The molecular formula about this chemical is C28H48O and the molecular weight is 400.68.
Physical properties about Ergost-5-en-3-ol, (3β,24R)- are: (1)ACD/LogP: 10.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.2; (4)ACD/LogD (pH 7.4): 10.2; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8403292; (8)ACD/KOC (pH 7.4): 8403292; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 124.58 cm3; (15)Molar Volume: 408.1 cm3; (16)Polarizability: 49.38x10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 214.3 °C; (20)Enthalpy of Vaporization: 87.08 kJ/mol; (21)Boiling Point: 489.5 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-11 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. This chemical that at low levels cause damage to health. It is irritating to eyes, respiratory system and skin. It is harmful and danger of serious damage to health by prolonged exposure if swallowed. There is limited evidence of a carcinogenic effect. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. When you are using it, do not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) If you store and use this chemical according the rule, it will not be decomposed. If you want to store it, you should keep the container tightly sealed in dry, cool places with the temperature of -20 °C. It should keep away from oxide.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
(3)InChIKey: SGNBVLSWZMBQTH-PODYLUTMBW
(4)Std. InChI: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
(5)Std. InChIKey: SGNBVLSWZMBQTH-PODYLUTMSA-N