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V900540

Sigma-Aldrich

p-Tolualdehyde

Vetec™, reagent grade, 97%

Synonym(s):

4-Methylbenzaldehyde

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About This Item

Linear Formula:
CH3C6H4CHO
CAS Number:
104-87-0
Molecular Weight:
120.15
Beilstein/REAXYS Number:
385772
EC Number:
203-246-9
MDL number:
MFCD00006954
UNSPSC Code:
12352100
PubChem Substance ID:
329829916

grade

reagent grade

product line

Vetec™

assay

97%

refractive index

n20/D 1.545 (lit.)

bp

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

density

1.019 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

FXLOVSHXALFLKQ-UHFFFAOYSA-N

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk_germany

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
WXBB1606V
MKBJ9779V

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Kei Ohkubo et al.
Chemical communications (Cambridge, England), 46(4), 601-603 (2010-01-12)
Photooxygenation of p-xylene by oxygen occurs efficiently under photoirradiation of 9-mesityl-2,7,10-trimethylacridinium ion (Me(2)Acr(+)-Mes) to yield p-tolualdehyde and hydrogen peroxide, which is initiated via photoinduced electron transfer of Me(2)Acr(+)-Mes to produce the electron-transfer state.
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
Selvam Amudhan Senthan et al.
Dalton transactions (Cambridge, England : 2003), 44(33), 14813-14822 (2015-07-30)
A new series of octanuclear Ru(ii) complexes of tolylterpyridine appended calixresorcarenes [{Ru(ttpy)}8()](PF6)16 (), [{Ru(ttpy)}8()](PF6)16 (), and [{Ru(ttpy)}8()](PF6)16 () [ = 2,8,14,20-tetraethyl-4,6,10,12,16,18,22,24-octa(4'-p-benzyloxy-(2,2':6',2''-terpyridinyl))calix[4]resorcarene; = 2,8,14,20-tetraphenyl-4,6,10,12,16,18,22,24-octa(4'-p-benzyloxy-(2,2':6',2''-terpyridinyl))calix[4]resorcarene; and = 2,8,14,20-tetra-p-tolyl-4,6,10,12,16,18,22,24-octa(4'-p-benzyloxy-(2,2':6',2''-terpyridinyl))calix[4]resorcarene] have been synthesized and characterized. The tetraethyl-, tetraphenyl-, and tetra-p-tolylcalixresorcarenes (), (), and ()

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