W333301

3-Butylidenephthalide

mixture of cis and trans isomers, ≥96%, FG

• Empirical Formula (Hill Notation): C₁₂H₁₂O₂
• CAS Number: 551-08-6
• Molecular Weight: 188.22
• FEMA Number: 3333
• EC Number: 208-991-3
• Council of Europe no.: 10083
• MDL number: MFCD00047319
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901649
• Flavis number: 10.024
• NACRES: NA.21

Properties

• biological source: synthetic
• grade: FG; Halal; Kosher
• reg. compliance: EU Regulation 1334/2008 & 872/2012; FDA 21 CFR 110
• Assay: ≥96%
• refractive index: n20/D 1.577 (lit.)
• bp: 139-142 °C/5 mmHg (lit.)
• density: 1.103 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: herbaceous
• SMILES string: CCC\C=C1/OC(=O)c2ccccc12
• InChI: 1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
• InChI key: WMBOCUXXNSOQHM-FLIBITNWSA-N

Description

General description

3-Butylidenephthalide is a bioactive phthalide compound of Chuanxiong rhizoma, a Chinese herbal medicine used for treating headache obtained from the root of Ligusticum chuanxiong Hort.

Safety Information

• Pictograms: GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H302,H411
• Precautionary Statements: P264 - P270 - P273 - P301 + P312 - P391 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves