Calcium abietate

Base Information

• Chemical Name: Calcium abietate
• CAS No.: 13463-98-4
• Deprecated CAS: 68153-41-3
• Molecular Formula: C20H30 O2 . 1/2 Ca
• Molecular Weight: 642.976
• European Community (EC) Number: 232-694-8,236-677-6
• UN Number: 1313,1314
• DSSTox Substance ID: DTXSID20928696
• Nikkaji Number: J195.731G
• Mol file: 13463-98-4.mol

Synonyms:Calcium abietate;Calcium rosinate;CALCIUM RESINATE;Rosin calcium salt;9007-13-0;Calcium rosin;Limed rosin;Limed wood rosin;Metallic resinate;Rosin, limed;Rosin, calcium salt;Rosin acid, calcium salt;Wood rosin, calcium salt;EINECS 236-677-6;Calcium abietate, technical;HSDB 961;EINECS 232-694-8;UN1313;UN1314;EC 232-694-8;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, calcium salt, (1R,4aR,4bR,10aR)-;13463-98-4;calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate;C20H30O2.1/2Ca;C20-H30-O2.1/2Ca;Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, calcium salt;Calcium resinate, fused;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, calcium salt, (1R-(1alpha,4abeta,4balpha,10aalpha))-;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, calcium salt, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-;abietic acid, calcium salt;Diabietic acid calcium salt;SCHEMBL1317076;2C20H29O2.Ca;DTXSID20928696;DWPDSISGRAWLLV-JHZYRPMRSA-L;calcium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;NA1313;NA1314;LS-102615;Calcium resinate [UN1313] [Flammable solid];Calcium resinate, fused [UN1314] [Flammable solid];1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, calcium salt (2:1), (1R,4aR,4bR,10aR)-

Chemical Property of Calcium abietate

Chemical Property:

• Vapor Pressure: 5.96E-09mmHg at 25°C
• Boiling Point: 439.5°Cat760mmHg
• Flash Point: 208.1°C
• PSA: 80.26000
• Density: g/cm³
• LogP: 7.74300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 642.3961012
• Heavy Atom Count: 45
• Complexity: 536
• Transport DOT Label: Flammable Solid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Biological Agents -> Rosin and Derivatives
• Canonical SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C.CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C.[Ca+2]
• Isomeric SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.[Ca+2]

Technology Process of Calcium abietate

There total 2 articles about Calcium abietate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

abietic acid (514-10-3) → abietic acid ; calcium salt (13463-98-4)

Guidance literature:

With calcium hydroxide; at 350 ℃; for 2h;

Reference yield:

Rosin → abietic acid ; calcium salt (13463-98-4)

Guidance literature:

With calcium hydroxide;

Reference yield:

abietic acid ; calcium salt (13463-98-4) → abietic acid (514-10-3)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; for 0.166667h; Heating / reflux;

upstream raw materials:

abietic acid

Downstream raw materials:

abietic acid

Refernces