Abietic acid, glyceryl ester

Base Information

• Chemical Name: Abietic acid, glyceryl ester
• CAS No.: 1337-89-9
• Deprecated CAS: 70226-25-4
• Molecular Formula: C20H30O2.xC3H8O3
• Molecular Weight: 0
• European Community (EC) Number: 917-495-2
• DSSTox Substance ID: DTXSID701019663
• Mol file: 1337-89-9.mol

Synonyms:ester gum;glyceryl-hydrogenated rosinate

Chemical Property of Abietic acid, glyceryl ester

Chemical Property:

• Vapor Pressure: 5.96E-09mmHg at 25°C
• Boiling Point: 439.5°C at 760 mmHg
• Flash Point: 208.1°C
• PSA: 97.99000
• LogP: 3.53810
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 394.27192431
• Heavy Atom Count: 28
• Complexity: 567

Purity/Quality:

99%, ^*data from raw suppliers

GLYCERYL ABIETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C.C(C(CO)O)O
• Isomeric SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C.C(C(CO)O)O