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Merck
CN

W213000

Benzaldehyde propylene glycol acetal, mixture of isomers

≥95%, FG

Synonym(s):

4-Methyl-2-phenyl-1,3-dioxolane

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About This Item

Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
2568-25-4
Molecular Weight:
164.20
FEMA Number:
2130
Council of Europe no.:
2226
UNSPSC Code:
12164502
PubChem Substance ID:
329830452
Flavis number:
6.032
EC Number:
219-906-4
NACRES:
NA.21
MDL number:
MFCD00059732
Organoleptic:
bitter; woody; sweet
Grade:
FG, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

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SMILES string

CC1COC(O1)c2ccccc2

InChI key

CDIKGISJRLTLRA-UHFFFAOYSA-N

InChI

1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

biological source

synthetic

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

Quality Level

300

Related Categories

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
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F

flash_point_c

113 °C

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2277
SHBP3069
SHBN9600
SHBN8442
SHBL9070

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Burdock GA.
Fenaroli's Handbook of Flavor Ingredients, Fifth Edition, 135-135 (2004)
Headspace solid-phase microextraction analysis of artificial flavors.
Coleman WM and Dube MF.
Journal of the Science of Food and Agriculture, 85(15), 2645-2654 (2005)

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