T35602
p-Tolualdehyde
97%
Synonym(s):
4-Methylbenzaldehyde
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About This Item
Linear Formula:
CH3C6H4CHO
CAS Number:
Molecular Weight:
120.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-246-9
Beilstein/REAXYS Number:
385772
MDL number:
Assay:
97%
Quality Level
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
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.
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signalword
Warning
hcodes
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
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Protocols
-Tolualdehyde; Valeraldehyde; Isovaleraldehyde
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.
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| T35602-500G | 04061832491257 |
| T35602-100G | 04061837344626 |
| T35602-5G | 04061837344657 |