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W213000

Sigma-Aldrich

Benzaldehyde propylene glycol acetal, mixture of isomers

≥95%, FG

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

biological source

synthetic

Quality Level

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

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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.

pictograms

Exclamation mark

signalword

Warning

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


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