75012

3-Propylidenephthalide

mixture of isomers, analytical standard

• Synonym(s): 3-Propylidene-1(3H)-isobenzofuranone
• Empirical Formula (Hill Notation): C₁₁H₁₀O₂
• CAS Number: 17369-59-4
• Molecular Weight: 174.20
• NACRES: NA.24
• PubChem Substance ID: 329766050
• UNSPSC Code: 85151701
• EC Number: 241-402-8
• MDL number: MFCD00051813

Properties

• grade: analytical standard
• Quality Segment: 100
• assay: ≥97.0% (sum of isomers, GC)
• shelf life: limited shelf life, expiry date on the label
• refractive index: n20/D 1.579-1.590, 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): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• storage temp.: 2-8°C
• 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

Description

General description

3-Propylidenephthalide, a substituted alkyldenephthalide, is a flavoring ingredient. It is typically added as a food additive. 3-Propylidenephthalide belongs to chemical group 11, called ‘alicyclic and aromatic lactones′.

Application

3-Propylidenephthalide may be used as an analytical standard for the determination of the analyte in cosmetics and personal care products, tobacco products, and biological samples by various chromatography techniques.

Analysis Note

remarks on GC: main isomer ≥97%

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H317
• pcodes: P280 - P301 + P312 + P330 - P302 + P352
• Hazard Classifications: Acute Tox. 4 Oral - Skin Sens. 1B
• Storage Class: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup