(Z)-3-butylidene phthalide

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1(3H)-isobenzofuranone, 3-butylidene-, (3Z)-

CAS: 72917-31-8 C12 H12 O2 MW: 188.22604000

Identification

Name(Z)-3-butylidene phthalide
IUPAC(3Z)-3-butylidene-2-benzofuran-1-one
CAS Number72917-31-8
FDA UNII6GM611H175
Molecular FormulaC12 H12 O2
Molecular Weight188.22604000
Nikkaji NumberJ682.071I

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 108.00 to 109.00 °C. @ 0.10 mm Hg, 312.00 to 313.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure 0.001000 mmHg @ 25.00 °C. (est)
Flash Point 262.00 °F. TCC ( 127.90 °C. ) (est)
logP (o/w) 3.723 (est)
Soluble in alcohol
Insoluble in water

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

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch

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72917-31-8 (Z)-Butylidenephthalide > 95%
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Potential Uses

None Found

Natural Occurrence

celery coffee green coffee PMC levisticum officinale flower oil @ 0.51% Data levisticum officinale root oil @ 2.24% Data levisticum officinale seed oil @ 0.69% Data ligusticum porteri lovage root lovage szechuan lovage parsley leaf oil @ trace% Data trachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.60% Data

Synonyms

1(3H)-iso benzofuranone, 3-butylidene-, (3Z)- (3Z)-3- butylidene-2-benzofuran-1-one (3Z)-3- butylidene-2-benzofuran-1(3H)-one (Z)-3- butylideneisobenzofuran-1(3H)-one (Z)-3- butylidenephthalide cis-3- butylidenephthalide PubMed: Antinociceptive activity of Ligusticum porteri preparations and compounds. PubMed: Antimycobacterials from lovage root (Ligusticum officinale Koch). PubMed: (Z)-3-butylidenephthalide from Ligusticum porteri , an α-glucosidase inhibitor. PubMed: Stereoselectivity of butylidenephthalide on voltage-dependent calcium channels in guinea-pig isolated ileum.