7-oxodehydroabietic acid Chemical Properties

Melting point:

90-91 °C

Boiling point:

475.4±45.0 °C(Predicted)

Density 

1.122±0.06 g/cm3(Predicted)

storage temp. 

Store at -20°C

pka

4.52±0.40(Predicted)

form 

Solid

color 

White to off-white

InChI

InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1

InChIKey

MSWJSDLNPCSSNW-MISYRCLQSA-N

SMILES

[C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)(C3=C(C(=O)C2)C=C(C(C)C)C=C3)CCC1

EPA Substance Registry System

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, (1R,4aS,10aR)- (18684-55-4)

7-oxodehydroabietic acid Usage And Synthesis

Description

It is an oxidation product of abietic acid, and an allergen of colophony.

Uses

7-Oxodehydroabietic acid is a diterpene resin acid isolated from the roots of the pine Pinus densiflora. 7-Oxodehydroabietic acid play a defensive role against herbivorous insects via insect endocrine-disrupting activity[1].

Contact allergens

7-Oxodehydroabietic acid is an autooxidation product of dehydroabietic acid, and an allergen contained in colophony.

References

[1] Hyun-Woo Oh, et al. Conifer Diterpene Resin Acids Disrupt Juvenile Hormone-Mediated Endocrine Regulation in the Indian Meal Moth Plodia interpunctella. J Chem Ecol. 2017 Jul;43(7):703-711. DOI:10.1007/s10886-017-0861-9
[2] Hisashi Kato-Noguchi, et al. Involvement of allelopathy in inhibition of understory growth in red pine forests. J Plant Physiol. 2017 Nov;218:66-73. DOI:10.1016/j.jplph.2017.07.006

7-oxodehydroabietic acid(18684-55-4)Related Product Information

• 7-OXOMETHYLDEHYDROABIETATE
• 7-oxodehydroabietic acid
• Dehydroabietic acid
• 4,4-DIMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE
• 7-Methyl-1-tetralone
• 5-(3-METHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
• TRANS-2-(2-OXO-2-PHENYLETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
• DEHYDROABIETINE
• 5-(2,5-DIMETHYLPHENYL)-5-OXOVALERIC ACID
• 2-CYCLOHEXYLBENZALDEHYDE
• (+)-Dehydroabietic acid
• TRANS-2-[2-(3-METHYLPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID