Abietic Acid

• Catalog Number: ACM514103
• Product Name: Abietic Acid
• CAS: 514-10-3
• Category: Heterocyclic Organic Compound
• Synonyms: 13-Isopropyl-podocarpa-13-dien-15-oicacid
• IUPAC Name: (1R,4aR,4bR,10aR)-1,4A-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
• Molecular Weight: 302.45
• Molecular Formula: C20H30O2
• Canonical SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
• InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
• InChI Key: RSWGJHLUYNHPMX-ONCXSQPRSA-N
• Boiling Point: 440 °C
• Melting Point: 139-142 °C(lit.)
• Flash Point: 208 °C
• Density: 1.06 g/cm³
• Solubility: Soluble in alcohols, acetone, ethers
• Appearance: Yellow solid
• Storage: 2-8 °C
• Complexity: 542
• Exact Mass: 302.224580195
• Hazard Statements: Xi,N
• Isomeric SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
• Monoisotopic Mass: 302.224580195
• Refractive Index: 1.4800
• Safety Description: 26-36
• Supplemental Hazard Statements: H410-H315-H319-H335-H400
• Symbol: GHS07,GHS09
• Topological Polar Surface Area: 37.3 Ų