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Merck
CN

W306801

o-Tolualdehyde

≥96.5%, FG

Synonym(s):

2-Methylbenzaldehyde

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About This Item

Linear Formula:
CH3C6H4CHO
CAS Number:
529-20-4
Molecular Weight:
120.15
Flavis number:
5.026
PubChem Substance ID:
24901195
UNSPSC Code:
12164502
FEMA Number:
3068
NACRES:
NA.21
EC Number:
208-452-2
MDL number:
MFCD00003338
Beilstein/REAXYS Number:
605841

Key Documents

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biological source

synthetic

grade

FG

reg. compliance

EU Regulation 1334/2008 & 872/2012

assay

≥96.5%

refractive index

n20/D 1.546 (lit.)

bp

199-200 °C (lit.)

density

1.039 g/mL at 20 °C, 1.039 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

cherry

SMILES string

[H]C(=O)c1ccccc1C

InChI

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

InChI key

BTFQKIATRPGRBS-UHFFFAOYSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

170.6 °F

flash_point_c

77 °C

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB2856
78696HJ
S44642
01814KH
03521EH

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C J Cros et al.
Indoor air, 22(1), 43-53 (2011-07-23)
The health effects associated with exposure to ozone range from respiratory irritation to increased mortality. In this paper, we explore the use of three green building materials and an activated carbon (AC) mat that remove ozone from indoor air. We
Qing-Xi Chen et al.
Journal of enzyme inhibition and medicinal chemistry, 18(6), 491-496 (2004-03-11)
The inhibition kinetics on the diphenolase activity of mushroom tyrosinase by some alkylbenzaldehydes has been investigated. The results show that the alkylbenzaldehydes assayed can lead to reversible inhibition to the enzyme; o-tolualdehyde and m-tolualdehyde are mixed-type inhibitors and p-alkylbenzaldehydes are
Grainne M Clifford et al.
Environmental science & technology, 45(22), 9649-9657 (2011-10-20)
The photolysis of o-tolualdehyde by natural sunlight has been investigated at the large outdoor European Photoreactor (EUPHORE) in Valencia, Spain. The photolysis rate coefficient was measured directly under different solar flux levels, with values in the range j(o-tolualdehyde) = (1.62-2.15)
K Watanabe et al.
Drug metabolism and disposition: the biological fate of chemicals, 23(2), 261-265 (1995-02-01)
Mouse hepatic microsomal enzymes catalyzed the oxidation of o-, m-, and p-tolualdehydes, intermediate metabolites of xylene, to the corresponding toluic acids. Cofactor requirement for the catalytic activity indicates that the microsomes contain NAD- and NADPH-dependent enzymes for this reaction. GC/MS

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