ascochitine

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(S)-8-hydroxy-4-methyl-3-(1-methyl propyl)-6-oxo-6H-2-benzopyran-7-carboxylic acid

CAS: 3615-05-2 C15 H16 O5 MW: 276.28852000
All Ingredients Aromatic Ingredients CAS Numbers Found in Nature

Identification

Nameascochitine
IUPAC3-[(2S)-butan-2-yl]-8-hydroxy-4-methyl-6-oxoisochromene-7-carboxylic acid
CAS Number3615-05-2
FDA UNIICO17L3VWWJ
Molecular FormulaC15 H16 O5
Molecular Weight276.28852000
Nikkaji NumberJ14.431B

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 495.25 °C. @ 760.00 mm Hg (est)
Flash Point 369.00 °F. TCC ( 187.20 °C. ) (est)
logP (o/w) 3.231 (est)
Soluble in water, 914.9 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

Categorytoxic natural substances
Recommendation for ascochitine usage levels up tonot for fragrance use.
Recommendation for ascochitine flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

None Found

Natural Occurrence

found in nature

Synonyms

aschchitine from B624868 K051 6H-2- benzopyran-7-carboxylic acid, 8-hydroxy-4-methyl-3-(1-methylpropyl)-6-oxo-, (S)- 3-[(2S)- butan-2-yl]-8-hydroxy-4-methyl-6-oxoisochromene-7-carboxylic acid (S)-8- hydroxy-4-methyl-3-(1-methyl propyl)-6-oxo-6H-2-benzopyran-7-carboxylic acid PubMed: Polyketides from the marine-derived fungus Ascochyta salicorniae and their potential to inhibit protein phosphatases. PubMed: Formation of ascochitine by plant pathogens of the genus Ascochyta. PubMed: The chemistry of fungi. LIX. The synthesis of ( )-ascochitine. PubMed: Mechanism of selective toxicity: absorption and detoxication of an antibiotic, ascochitine, by sensitive and insensitive fungi.