| Identification | More | [Name]
p-Tolualdehyde | [CAS]
104-87-0 | [Synonyms]
4-METHYLBENZALDEHYDE
4-TOLUALDEHYDE
AKOS BBS-00003200
FEMA 3068
LABOTEST-BB LT00930011
P-METHYLBENZALDEHYDE
PTAL
P-TOLUALDEHYDE
P-TOLUYLALDEHYDE
P-TOLYLALDEHYDE
TOLUALDEHYDE, P-
TOLYLALDEHYDE
4-methyl-benzaldehyd
benzaldehyde,-methyl-
para-methylbenzaldehyde
Paratolualdehyde
para-tolualdehyde
para-toluylaldehyde
p-Formyltoluene
4-Toluic aldehyde | [EINECS(EC#)]
203-246-9 | [Molecular Formula]
C8H8O | [MDL Number]
MFCD00006954 | [Molecular Weight]
120.15 | [MOL File]
104-87-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to pale yellow liquid | [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 | [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 | [Odor]
at 5.00 % in dipropylene glycol. fruity cherry deep phenolic | [biological source]
synthetic | [explosive limit]
0.9-5.6%(V) | [Odor Type]
fruity | [Water Solubility ]
0.25 g/L (25 ºC) | [Sensitive ]
Air Sensitive | [BRN ]
385772 | [InChIKey]
FXLOVSHXALFLKQ-UHFFFAOYSA-N | [LogP]
2.25 | [CAS DataBase Reference]
104-87-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzaldehyde, 4-methyl-(104-87-0) | [Storage Precautions]
Store under nitrogen | [EPA Substance Registry System]
104-87-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36/38:Irritating to eyes and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
NA 1993 / PGIII | [WGK Germany ]
1
| [RTECS ]
CU7034500
| [F ]
9-23 | [Autoignition Temperature]
395 °C DIN 51794 | [TSCA ]
Yes | [HS Code ]
29122900 | [Hazardous Substances Data]
104-87-0(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 1600 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to pale yellow liquid | [Uses]
p-Tolualdehyde is made by the Vilsmeier reaction employing
toluene and dimethylformamide or the Guttermann–Koch
reaction employing toluene and carbon monoxide. | [Definition]
ChEBI: A tolualdehyde compound with the methyl substituent at the 4-position. | [Preparation]
p-Tolualdehyde is prepared by oxidation of mixed Tolylalcohols.
| [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 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). | [Flammability and Explosibility]
Notclassified | [storage]
Store at -20°C | [Purification Methods]
Steam distil the aldehyde, dry it with CaSO4, then fractionally distil it. [Beilstein 7 IV 672.] | [Toxics Screening Level]
The initial threshold screening level (ITSL) for p-tolualdehyde is 440 μg/m3 based on an annual averaging time. |
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