Dehydroabietic acid

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1759
CAS
1740-19-8
Product Name
Dehydroabietic acid
Structure

Product Details

Description
Dehydroabietic acid is a diterpenoid found in Pinus sp.
Synonyms
Dehydroabietate; Abieta-8,11,13-trien-18-oic acid; Abietic acid, dehydro-
IUPAC Name
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Weight
300.44
Molecular Formula
C20H28O2
Canonical SMILES
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
InChI
InChI=1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChIKey
NFWKVWVWBFBAOV-MISYRCLQSA-N
Boiling Point
394.13°C (rough estimate)
Melting Point
174-176 °C
Purity
97.0%
Density
1.058 g/cm3
Appearance
Oil
Storage
Sealed in dry, store in freezer, under -20°C
Chemical Properties
White Solid or Colorless needle crystal, Slightly soluble in water, soluble in methanol, ethanol, DMSO and other organic solvents. It is an abietane diterpenic resin acid that is obtained from Pinus resin.
Color
Yellow
Definition
ChEBI: Dehydroabietic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. It has a role as a metabolite and an allergen. It is an abietane diterpenoid, a monocarboxylic acid and a carbotricyclic compound. It derives from an abietic acid. It is a conjugate acid of a dehydroabietate.
EINECS
217-102-8
Form
Powder
Hazard Class
T,N
HS Code
29161900
pKa
4.66±0.40(Predicted)
Refractive Index
1.5404 (estimate)
RIDADR
UN 2811 6.1 / PGIII
Risk Statements
25-50
Safety Statements
45-61
Uses
Dehydroabietic Acid is a resin acid found commonly in rosin. Dehydroabietic Acid is used in rosin-type nucleating agent for polypropylene (PP). Dehydroabietic Acid is used commonly in the synthesis of surfactants, antioxidants and chiral catalysts.
WGK Germany
1
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