Neoabietic acid

Neoabietic acid
Names
	IUPAC name (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
	Other names neo-abietic acid; 1-Phenanthrenecarboxylic acid;
Identifiers
CAS Number	471-77-2 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:29653;
ChemSpider	191824;
ECHA InfoCard	100.162.824
EC Number	634-885-5;
KEGG	C11889;
PubChem CID	221118;
UNII	8I5YI4CXJ7;
CompTox Dashboard (EPA)	DTXSID8022038;
	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/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 Key: KGMSWPSAVZAMKR-ONCXSQPRSA-N;
	SMILES CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C;
Properties
Chemical formula	C20H30O2
Molar mass	302.458 g·mol−1
Appearance	yellow crystalline solid
Density	1.1 g/cm3
Melting point	165–170 °C (329–338 °F; 438–443 K)
Boiling point	433.4 °C (812.1 °F; 706.5 K)
Solubility in water	Sparingly soluble
Solubility	Readily soluble in organic solvents such as ethanol, acetone, and hydrocarbons
Hazards
Flash point	206 °C
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Neoabietic acid is a naturally occurring organic compound classified as a diterpenoid with the molecular formula C₂₀H₃₀O₂. This is a diterpenoid resin acid found in conifer resins, particularly in processed pine rosin. Neoabietic acid is a structural isomer of abietic acid and belongs to the abietane-type diterpene family. The compound forms primarily through thermal or chemical isomerization of abietic acid during the distillation and processing of crude rosin.