dihydroagathic acid

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labda-8(17)-ene-15,19-dioic acid

CAS: 5956-15-0 C20 H32 O4 MW: 336.47184000
All Ingredients Aromatic Ingredients CAS Numbers Found in Nature

Identification

Namedihydroagathic acid
IUPAC(1R,4aR,5S,8aR)-5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CAS Number5956-15-0
FDA UNIISearch
Molecular FormulaC20 H32 O4
Molecular Weight336.47184000

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 486.00 to 487.00 °C. @ 760.00 mm Hg (est)
Flash Point 504.00 °F. TCC ( 262.20 °C. ) (est)
logP (o/w) 5.003 (est)
Soluble in water, 0.2661 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for dihydroagathic acid usage levels up tonot for fragrance use.
Recommendation for dihydroagathic acid flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

None Found

Natural Occurrence

pinus elliottii pinus ponderosa

Synonyms

(1R,4aR,5S,8aR)-5-(4- carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (1S-(1alpha,4abeta,5alpha,8aalpha))-5- carboxydecahydro-beta,5,8a-trimethyl-2-methylene-1-naphthalene pentanoic acid labda-8(17)-ene-15,19-dioic acid PubMed: Pine needle abortion biomarker detected in bovine fetal fluids. PubMed: Implication of agathic acid from Utah juniper bark as an abortifacient compound in cattle. PubMed: Development of enzyme-linked immunosorbent assays for isocupressic acid and serum metabolites of isocupressic acid. PubMed: Preparation of tetrahydroagathic acid: a serum metabolite of isocupressic acid, a cattle abortifacient in ponderosa pine. PubMed: Pine needle abortion in cattle: metabolism of isocupressic acid. PubMed: In vitro biotransformations of isocupressic acid by cow rumen preparations: formation of agathic and dihydroagathic acids.