Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-beta-Hydroxy-olean-12-en-28-oic acid propionate |
EINECS | N/A |
CAS No. | 107304-64-3 | Density | 1.09 g/cm3 |
PSA | 63.60000 | LogP | 8.19450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C33H52O4 | Boiling Point | 575.6 °C at 760 mmHg |
Molecular Weight | 512.773 | Flash Point | 172.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Olean-12-en-28-oicacid, 3b-hydroxy-, propionate (7CI); |
Article Data | 2 |
The CAS register number of 3-beta-Hydroxy-olean-12-en-28-oic acid propionate is 107304-64-3. It also can be called as Carbamic acid, N,N-dichloro-, ethyl ester and the systematic name about this chemical is ethyl N,N-dichlorocarbamate.
Physical properties about 3-beta-Hydroxy-olean-12-en-28-oic acid propionate are: (1)ACD/LogP: 10.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.56; (4)ACD/LogD (pH 7.4): 7.76; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 102820.16; (7)ACD/KOC (pH 5.5): 1435814.38; (8)ACD/KOC (pH 7.4): 22593.82; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.6Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 147.78 cm3; (15)Molar Volume: 468.6 cm3; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.09 g/cm3; (18)Flash Point: 172.4 °C; (19)Enthalpy of Vaporization: 94.21 kJ/mol; (20)Boiling Point: 575.6 °C at 760 mmHg; (21)Vapour Pressure: 9.51E-15 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: CCC(=O)O[C@@H]1[C@@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]5[C@@](CC4)(CC[C@@](C5)(C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C
2.InChI: InChI=1/C33H52O4/c1-9-26(34)37-25-13-14-30(6)23(29(25,4)5)12-15-32(8)24(30)11-10-21-22-20-28(2,3)16-18-33(22,27(35)36)19-17-31(21,32)7/h10,22-25H,9,11-20H2,1-8H3,(H,35,36)/t22-,23-,24+,25-,30-,31+,32+,33-/m0/s1
3.InChIKey: PEZKOSAVNDGSEH-FBXMHRQLBQ
4.Std. InChI: InChI=1S/C33H52O4/c1-9-26(34)37-25-13-14-30(6)23(29(25,4)5)12-15-32(8)24(30)11-10-21-22-20-28(2,3)16-18-33(22,27(35)36)19-17-31(21,32)7/h10,22-25H,9,11-20H2,1-8H3,(H,35,36)/t22-,23-,24+,25-,30-,31+,32+,33-/m0/s1