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T35602

Sigma-Aldrich

p-Tolualdehyde

97%

Sinónimos:

4-Methylbenzaldehyde

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About This Item

Fórmula lineal:
CH3C6H4CHO
Número de CAS:
104-87-0
Peso molecular:
120.15
Beilstein/REAXYS Number:
385772
EC Number:
203-246-9
MDL number:
MFCD00006954
UNSPSC Code:
12352100
PubChem Substance ID:
24900149
NACRES:
NA.22

Quality Level

100

assay

97%

refractive index

n20/D 1.545 (lit.)

bp

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

solubility

water: soluble 0.25 g/L at 25 °C

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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General description

p-Tolualdehyde (4-Methylbenzaldehyde) is an aromatic aldehyde. It has been generated as major oxygenated product during the UV light irradiated oxygenation of p-xylene, via photoinduced electron transfer mechanism. It undergoes condensation reaction with diiron μ-ethylidyne complex to afford μ-vinylcarbyne complex (92% yield).

Application

p-Tolualdehyde may be employed as growth substrate in the culture medium of the strains of Pseudomonas putida.
p-Tolualdehyde may be used in the preparation of (E)-3-(4-methyl-phen-yl)-1-(1,3-thia-zol-2-yl)prop-2-en-1-one. It may be used in the preparation of (Z)-trisubstituted allylic alcohols.

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Annamalai Palaniappan et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 6), o1875-o1875 (2012-06-22)
In the title chalcone, C(13)H(11)NOS, derived from the condensation of p-tolualdehyde and 1-(1,3-thia-zol-2-yl)ethanone, the olefine group has a trans configuration. No classical hydrogen bonding is present in the crystal structure.
Ohkubo et al.
Organic letters, 2(23), 3647-3650 (2000-11-14)
The 100% selective oxygenation of p-xylene to p-tolualdehyde is initiated by photoinduced electron transfer from p-xylene to the singlet excited state of 10-methyl-9-phenylacridinium ion under visible light irradiation, yielding p-tolualdehyde exclusively as the final oxygenated product. The reason for the
Young K Chen et al.
Journal of the American Chemical Society, 126(12), 3702-3703 (2004-03-25)
In this Communication, we outline a new one-pot, multicomponent coupling reaction that allows easy access to (Z)-trisubstituted allylic alcohols. Our strategy is based on E to Z isomerization of the 1-bromo-1-dialkylvinylborane upon reaction with dialkylzinc reagents, and subsequent transmetalation to
M J Worsey et al.
Journal of bacteriology, 124(1), 7-13 (1975-10-01)
Pseudomonas putida (arvilla) mt-2 carries genes for the catabolism of toluene, m-xylene, and p-xylene on a transmissible plasmid, TOL. These compounds are degraded by oxidation of one of the methyl substituents via the corresponding alcohols and aldehydes to benzoate and
Synthesis of cationic diiron μ-vinylcarbyne complexes.
Casey CP, et al.
Polyhedron, 7(10), 881-992 (1988)
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