p-Tolualdehyde

p-Tolualdehyde Basic information
Product Name:p-Tolualdehyde
Synonyms:p-Toluic aldehyde;p-Tolualdehyde ,98%;4-Formyltoluene, p-Tolualdehyde;p-Tolualdehyde, 97% 100GR;p-Tolualdehyde, 99+% 100GR;4-METHYLPIPERIDINE FOR SYNTHESIS;4-METHYLBENZALDEHYDE FOR SYNTHESIS;p-Tolualdehyde 97%
CAS:104-87-0
MF:C8H8O
MW:120.15
EINECS:203-246-9
Product Categories:Aldehydes;Building Blocks;C8;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Aromatic Aldehydes & Derivatives (substituted);API intermediates;Benzaldehyde (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;bc0001
Mol File:104-87-0.mol
p-Tolualdehyde Structure
p-Tolualdehyde Chemical Properties
Melting point -6 °C
Boiling point 204-205 °C (lit.) 82-85 °C/11 mmHg (lit.)
density 1.019 g/mL at 25 °C (lit.)
vapor pressure 0.33 hPa (25 °C)
FEMA 3068 | TOLUALDEHYDES (MIXED O,M,P)
refractive index n20/D 1.545(lit.)
Fp 176 °F
storage temp. Store below +30°C.
solubility water: soluble0.25 g/L at 25°C
form Liquid
color Clear colorless to yellow
Odorat 5.00 % in dipropylene glycol. fruity cherry deep phenolic
Odor Typefruity
explosive limit0.9-5.6%(V)
Water Solubility 0.25 g/L (25 ºC)
Sensitive Air Sensitive
BRN 385772
InChIKeyFXLOVSHXALFLKQ-UHFFFAOYSA-N
LogP2.25
CAS DataBase Reference104-87-0(CAS DataBase Reference)
NIST Chemistry ReferenceBenzaldehyde, 4-methyl-(104-87-0)
EPA Substance Registry System4-Methylbenzaldehyde (104-87-0)
Safety Information
Hazard Codes Xn
Risk Statements 22-36/37/38-36/38
Safety Statements 26-36-37/39
RIDADR NA 1993 / PGIII
WGK Germany 1
RTECS CU7034500
9-23
Autoignition Temperature395 °C DIN 51794
TSCA Yes
HS Code 29122900
Hazardous Substances Data104-87-0(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 1600 mg/kg
MSDS Information
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p-Tolualdehyde English
SigmaAldrich English
ACROS English
ALFA English
p-Tolualdehyde Usage And Synthesis
Chemical Propertiesclear colorless to pale yellow liquid
Usesp-Tolualdehyde is made by the Vilsmeier reaction employing toluene and dimethylformamide or the Guttermann–Koch reaction employing toluene and carbon monoxide.
Usesp-Tolualdehyde is used as an intermediate for the synthesis of pharmaceuticals, dyes perfumes and agrochemicals. It is also used as a fixative of flavorings. It is also used as an important organic intermediates, used for spices, triphenylmethane dye synthesis, etc.
Usesp-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).

DefinitionChEBI: A tolualdehyde compound with the methyl substituent at the 4-position.
Synthesis Reference(s)Journal of the American Chemical Society, 105, p. 7175, 1983 DOI: 10.1021/ja00362a028
Tetrahedron Letters, 29, p. 6265, 1988 DOI: 10.1016/S0040-4039(00)82321-7
General Descriptionp-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).
Flammability and ExplosibilityNotclassified
Purification MethodsSteam distil the aldehyde, dry it with CaSO4, then fractionally distil it. [Beilstein 7 IV 672.]
p-Toluoyl chloride 2-FLUORENECARBOXALDEHYDE 2-Bromo-4'-methylacetophenone 3-(Trifluoromethyl)benzaldehyde 4-PENTYLBENZOYL CHLORIDE 4-N-BUTYLBENZOYL CHLORIDE p-Tolualdehyde 4-Biphenylcarbonyl chloride 4-Dimethylaminobenzaldehyde 4-tert-Butylbenzoyl chloride 4-Hydroxybenzaldehyde 2-BROMO-4'-PHENYLACETOPHENONE m-Tolualdehyde, 98%, stabilized,3-TOLUALDEHYDE,3-TOLUALDEHYDE,M-TOLUALDEHYDE,M-TOLUALDEHYDE,m-Tolualdehyde, 98%, stabilized p-Anisaldehyde 4-N-HEXYLBENZOYL CHLORIDE 4-Formylbenzoic acid 4-N-PROPYLBENZOYL CHLORIDE 4'-(Trifluoromethyl)acetophenone

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