W213000

Benzaldehyde propylene glycol acetal, mixture of isomers

≥95%, FG

• Synonym(s): 4-Methyl-2-phenyl-1,3-dioxolane
• Empirical Formula (Hill Notation): C₁₀H₁₂O₂
• CAS Number: 2568-25-4
• Molecular Weight: 164.20
• FEMA Number: 2130
• EC Number: 219-906-4
• Council of Europe no.: 2226
• MDL number: MFCD00059732
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830452
• Flavis number: 6.032
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Kosher
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117; FDA 21 CFR 172.515
• assay: ≥95%
• refractive index: n20/D 1.509 (lit.)
• bp: 83-85 °C/4 mmHg (lit.)
• density: 1.065 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: bitter; woody; sweet
• SMILES string: CC1COC(O1)c2ccccc2
• InChI: 1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
• InChI key: CDIKGISJRLTLRA-UHFFFAOYSA-N

Description

General description

The product is an isomeric mixture of benzaldehyde propylene glycol acetal (Benzaldehyde PG acetal). It can be prepared from benzaldehyde and propylene glycol, via condensation reaction. Specific gravity of benzaldehyde PG acetal is 1.068 – 1.073 at 20°C. It has been identified as one of the volatile compound present in the artificial caramel and chocolate samples by non-equilibrated solid-phase microextraction/gas chromatography/mass spectrometry.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 235.4 °F
• flash_point_c: 113 °C