1,4a-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Base Information

• Chemical Name: 1,4a-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
• CAS No.: 8050-09-7
• Molecular Formula: Unspecified
• Molecular Weight: 302.45100
• Hs Code.: 38061010
• European Community (EC) Number: 232-475-7,277-299-1,233-584-2,232-484-6
• ICSC Number: 0358
• NSC Number: 224316,224312,226139
• DSSTox Substance ID: DTXSID20275874
• Nikkaji Number: J3.129.758C
• Wikidata: Q82006107
• Mol file: 8050-09-7.mol

Synonyms:1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid;17817-95-7;Abieta-7,13-dien-18-oic acid;Resin acid;8050-09-7;Abieta-7,13-dien-18-oic acid #;Abietic acid Tech. Grade;10248-55-2;NCIOpen2_007684;Oprea1_474955;MLS006011475;SCHEMBL2754762;DTXSID20275874;[1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-;MFCD00001162;NSC224312;NSC224316;NSC226139;AKOS002945294;NSC-224312;NSC-224316;NSC-226139;8052-10-6;SMR002175750;FT-0621708;FT-0701292;1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid;1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid;7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid;73138-82-6

Chemical Property of 1,4a-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Chemical Property:

• Appearance/Colour: light yellow
• Vapor Pressure: 5.96E-09mmHg at 25°C
• Melting Point: 70-72°C
• Refractive Index: 1.541
• Boiling Point: 250oC
• Flash Point: 208.1oC
• PSA: 37.30000
• Density: 1.07 g/cm₃
• LogP: 5.20620
• Storage Temp.: Room Temperature
• Solubility.: chloroform: 0.1 g/mL, clear, strongly yellow
• Water Solubility.: Soluble in alcohol, benzene, ether. Insoluble in water
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

Rosin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 24-37

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
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered or as fumes.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.
• Description and Sources: Rosin is a natural gum obtained as a resinous constituent of the oleoresin exuded by various species of pine, mostly conifers. It is the non-volatile fraction of the oleoresins from coniferous trees, mainly pine trees.; Rosin consists primarily of abietic- and pimaric-type resin acids (or rosin acids) with characteristic hydrophobic hydrophenanthrene rings.
• Types of Rosin: Three types of rosin based on the way of recovery: gum rosin, wood rosin, and tall oil rosin. Rosin is present in unmodified and modified forms in various products such as printing ink, adhesives, and paper size.
• Industrial and Pharmaceutical Applications: Used as a precursor for many industrial applications such as paints, inks, adhesives, and sealants. It's pharmaceutical applications including film-forming and coating properties, microencapsulation, and as a matrix material in tablets for sustained and controlled drug release. Rosin has the effects of dispelling wind and dampness, expelling pus and toxins, promoting muscle growth, and relieving pain.
• Allergenic Properties: Colophony (rosin) is a common cause of contact allergy and allergic contact dermatitis (ACD) due to its widespread usage and skin sensitizing capacity. Main allergenic components include oxidized resin acids of the abietadiene-type, with 15-Hydroperoxyabietic acid being a major sensitizer.