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Merck
CN

41423

p-Tolualdehyde

analytical standard

Synonym(s):

4-Methylbenzaldehyde

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About This Item

Linear Formula:
CH3C6H4CHO
CAS Number:
104-87-0
Molecular Weight:
120.15
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329756103
EC Number:
203-246-9
Beilstein/REAXYS Number:
385772
MDL number:
MFCD00006954

Key Documents

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InChI key

FXLOVSHXALFLKQ-UHFFFAOYSA-N

InChI

1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

SMILES string

[H]C(=O)c1ccc(C)cc1

grade

analytical standard

assay

≥97.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

impurities

≤0.5% o-tolualdehyde (GC), ≤0.50% m-tolualdehyde (GC), ≤1.0% water, ≤3.0% free carboxylic acid (T)

refractive index

n20/D 1.544-1.548

Quality Level

100

bp

204-205 °C (lit.), 82-85 °C/11 mmHg (lit.)

density

1.019 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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General description

p-Tolualdehyde (4-Methylbenzaldehyde) is a methylated benzene that belongs to the class of aromatic aldehydes. It is identified as a flavor/aroma component in Greek cotton honey, Brazilian wines, tobacco, etc. 4-Methylbenzaldehyde is also reported to be produced by the members of the genus, Phellinus.

Application

p-Tolualdehyde may be used as an analytical reference standard for the quantification of the analyte in the following:
  • Air samples using high-performance liquid chromatography with UV detection (HPLC-UV).
  • Mango cultivars using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

161.6 °F - closed cup

flash_point_c

72 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG9495
BCCB3930
BCBS7340V

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Kinetics of gas phase reactions of OH and Cl with aromatic aldehydes
Thiault G, et al.
Physical Chemistry Chemical Physics, 4(11), 2194-2199 (2002)
Analysis of the aroma components in tobacco using combined GC-MS and AMDIS
Wu L, et al.
Analytical Methods : Advancing Methods and Applications, 5(5), 1259-1263 (2013)
Investigation of carbonyl compounds in air from various industrial emission sources
Kim H-K, et al.
Chemosphere, 70(5), 807-820 (2008)
Characterization of the aroma profile of novel Brazilian wines by solid-phase microextraction using polymeric ionic liquid sorbent coatings
Crucello J, et al.
Analytical and Bioanalytical Chemistry, 410(19), 4749-4762 (2018)
Flavour compounds of Greek cotton honey
Alissandrakis E, et al.
Journal of the Science of Food and Agriculture, 85(9), 1444-1452 (2005)
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