Methyl maslinate supplier | CasNO.22425-82-7

Name
Methyl maslinate
EINECS
CAS No. 22425-82-7
Article Data2
CAS DataBase
Density 1.11g/cm³
Solubility
Melting Point
Formula C₃₁H₅₀ O₄
Boiling Point 541.9 °C at 760 mmHg
Molecular Weight 486.736
Flash Point 163.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Maslinicacid, methyl ester (6CI);Olean-12-en-28-oic acid, 2a,3b-dihydroxy-, methyl ester (7CI,8CI);2a-Hydroxyoleanolic acid methyl ester;Crategolic acidmethyl ester;Methyl 2a-hydroxyoleanolate;Methyl crategolate;Methyl maslinate;
PSA 66.76000
LogP 6.29280

Methyl maslinate Specification

The Methyl maslinate with cas registry number of 22425-82-7, is also named Maslinicacid, methyl ester (6CI) ; Olean-12-en-28-oic acid, 2a,3b-dihydroxy-, methyl ester (7CI,8CI) .The Methyl maslinate belongs to the following product categorie: Pentacyclic Triterpenes .

Physical properties of Methyl maslinate :(1)ACD/LogP: 8.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.33; (4)ACD/LogD (pH 7.4): 8.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 815145; (8)ACD/KOC (pH 7.4): 815145; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 139.92 cm³; (15)Molar Volume: 437.5 cm³; (16)Polarizability: 55.47×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Enthalpy of Vaporization: 94.27 kJ/mol; (19)Vapour Pressure: 5.29E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:O=C(OC)[C@@]54[C@@H](/C3=C/C[C@H]1[C@](CCC2[C@]1(C)C[C@@H](O)[C@H](O)C2(C)C)(C)[C@]3(C)CC4)CC(C)(C)CC5; (2)InChI:InChI=1/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21-,22?,23-,24+,28+,29-,30-,31+/m1/s1; (3)InChIKey:OTDUGESKRJHFHR-TVERBWPDBY; (4)Std. InChI:InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21-,22?,23-,24+,28+,29-,30-,31+/m1/s1; (5)Std. InChIKey:OTDUGESKRJHFHR-TVERBWPDSA-N.

Product Name

Methyl maslinate

Methyl maslinate Specification

Related Products

Hot Products