Roccellic acid

Base Information Edit

Chemical Name:Roccellic acid
CAS No.:29838-46-8
Molecular Formula:C₁₇H₃₂O₄
Molecular Weight:300.439
Hs Code.:
UNII:AEL38V7F67
ChEMBL ID:CHEMBL3138662
Metabolomics Workbench ID:123462
Nikkaji Number:J20.423D
Wikidata:Q27273898
Mol file:29838-46-8.mol

Synonyms:Roccellic acid;29838-46-8;(2R,3S)-2-dodecyl-3-methylbutanedioic acid;Succinic acid, 2-dodecyl-3-methyl-, (+)-;Rocellic acid;AEL38V7F67;Acide roccellique;Succinic acid, 2-dodecyl-3-methyl-, (2R,3S)-;2-dodecyl-3-methylbutanedioic acid;UNII-AEL38V7F67;NSC-249985;NSC 249985;ROCCELLIC ACID [MI];(+)-ROCCELLIC ACID;SCHEMBL2992320;CHEMBL3138662;ROCCELLIC ACID, (+)-;CHEBI:144218;AKOS040755241;(2R, 3S)-2-dodecyl-3-methylbutanedioic acid;Q27273898;Butanedioic acid, 2-dodecyl-3-methyl-, (S-(R*,S*))-;BUTANEDIOIC ACID, 2-DODECYL-3-METHYL-, (2R,3S)-

Suppliers and Price of Roccellic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Cayman Chemical
Roccellic Acid
5mg
$ 375.00

Cayman Chemical
Roccellic Acid
1mg
$ 125.00

Total 5 raw suppliers

Chemical Property of Roccellic acid Edit

Chemical Property:

Vapor Pressure:7.09E-08mmHg at 25°C
Melting Point:132-133°
Boiling Point:410.1°Cat760mmHg
PKA:4.24±0.11(Predicted)
Flash Point:216°C
PSA：74.60000
Density:1.004g/cm³
LogP:4.71890
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:300.23005950
Heavy Atom Count:21
Complexity:289

Purity/Quality:

99% ^*data from raw suppliers

Roccellic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O
Isomeric SMILES:CCCCCCCCCCCC[C@H]([C@H](C)C(=O)O)C(=O)O
Uses Barbatic Acid has been used to determine anti-tumor activity of active compounds extracted from Ramalina conduplicans in H22 tumor-bearing mice

Technology Process of Roccellic acid

There total 7 articles about Roccellic acid 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: 80.0%