W295205

3-Propylidenephthalide

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

• Synonym(s): 3-Propylidene-1(3H)-isobenzofuranone
• Empirical Formula (Hill Notation): C₁₁H₁₀O₂
• CAS Number: 17369-59-4
• Molecular Weight: 174.20
• FEMA Number: 2952
• EC Number: 241-402-8
• Council of Europe no.: 494
• MDL number: MFCD00051813
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901416
• Flavis number: 10.005
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 172.515
• Assay: ≥96%
• refractive index: n20/D 1.586 (lit.)
• bp: 170 °C/12 mmHg (lit.)
• mp: 5 °C (lit.)
• density: 1.122 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: propylidene phthalide
• Organoleptic: spicy; herbaceous; warm
• SMILES string: CC\C=C1/OC(=O)c2ccccc12
• InChI: 1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
• InChI key: NGSZDVVHIGAMOJ-YHYXMXQVSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H317
• Precautionary Statements: P261 - P264 - P272 - P280 - P301 + P312 - P302 + P352
• Hazard Classifications: Acute Tox. 4 Oral - Skin Sens. 1B
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup