marrubic acid

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1-naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)decahydro-5,8-dihydroxy-1,4a,6-trimethyl-, (1S-(1-alpha,4a-alpha,5-beta,6-beta,8-alpha,8a-beta)-

CAS: 564-12-5 C20 H30 O5 MW: 350.45510000
All Ingredients Aromatic Ingredients CAS Numbers Found in Nature

Identification

Namemarrubic acid
IUPACmethyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate
CAS Number564-12-5
FDA UNIISearch
Molecular FormulaC20 H30 O5
Molecular Weight350.45510000

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 458.30 °C. @ 760.00 mm Hg (est)
Flash Point 448.00 °F. TCC ( 231.00 °C. ) (est)
logP (o/w) 3.470 (est)
Soluble in water, 2.953 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Oral/Parenteral Toxicityintraperitoneal-mouse LD50 115 mg/kg
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 marrubic acid usage levels up tonot for fragrance use.
Recommendation for marrubic acid flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

None Found

Natural Occurrence

found in nature

Synonyms

6-beta,9- dihydroxy-15,16-epoxylabda-13(16),14-dien-19-oic acid labda-13(16),14-dien-19-oic acid, 6-beta,9-dihydroxy-15,16-epoxy- marrubinsaeure methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate 1- naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)decahydro-5,8-dihydroxy-1,4a,6-trimethyl-, (1S-(1-alpha,4a-alpha,5-beta,6-beta,8-alpha,8a-beta)- PubMed: A new monoterpene acid from Marrubium vulgare with potential antihepatotoxic activity.