cnidilide

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3-butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone

CAS: 3674-03-1 C12 H18 O2 MW: 194.27386000
All Ingredients Aromatic Ingredients CAS Numbers Found in Nature M.W Index

Identification

Namecnidilide
IUPAC(3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one
CAS Number3674-03-1
FDA UNIISearch
Molecular FormulaC12 H18 O2
Molecular Weight194.27386000
Nikkaji NumberJ476.062J

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 320.00 to 321.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure 0.000323 mmHg @ 25.00 °C. (est)
Flash Point 269.00 °F. TCC ( 131.80 °C. ) (est)
logP (o/w) 3.423 (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

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

No supplier data available

Potential Uses

None Found

Natural Occurrence

celery root conioselium tataricum lovage szechuan lovage xinjiang gaoben

Synonyms

1(3H)-iso benzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S-(3a,3ab,7ab))- 3- butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone (3S,3aS,7aR)-3- butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one PubMed: [Analysis of volatile oils of Ligusticum chuanxiong Hort. from different geographical origins by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry]. PubMed: Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster. PubMed: Phytochemical analysis of anti-atherogenic constituents of Xue-Fu-Zhu-Yu-Tang using HPLC-DAD-ESI-MS. PubMed: Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry. PubMed: Effect of Shimotsu-to (a Kampo medicine, Si-Wu-Tang) and its constituents on triphasic skin reaction in passively sensitized mice. PubMed: [Centrally acting muscle relaxant effect of phthalides (ligustilide, cnidilide and senkyunolide) obtained from Cnidium officinale Makino]. PubMed: [Chemical constituents of essential oil from Xinjiang gaoben (the rhizome of Conioselium tataricum Hoffm.) by GC-MS analysis]. PubMed: Phthalides in Roots of Capnophyllum peregrinum and Peucedanum ostruthium. PubMed: Phthalides in Roots of Opopanax chironium.