4-甲基苯甲醛

Description

p-Tolualdehyde · CAS 104-87-0 · C8H8O. UNII GAX22QZ28Q. Boiling Point: 204 °C; Boiling Point: BP: 106 °C at 10 mm Hg; Boiling Point: 204.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	104-87-0
PubChem CID	7725
Molecular formula	C8H8O
IUPAC name	4-methylbenzaldehyde
UNII (FDA)	GAX22QZ28Q

Computed Descriptors

Molecular Weight	120.15
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.057514874
Monoisotopic Mass	120.057514874
Topological Polar Surface Area	17.1
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	204 °C
Boiling Point	BP: 106 °C at 10 mm Hg
Boiling Point	204.00 °C. @ 760.00 mm Hg
Melting Point	-6 °C
Solubility	In water, 2.27X10+3 mg/L at 25 °C
Solubility	2.27 mg/mL at 25 °C
Density	1.0194 g/cu cm at 17 °C
Vapor Pressure	0.25 [mmHg]
Vapor Pressure	2.5X10-1 mm Hg at 25 °C

Physical description & handling notes

• Liquid
• Colorless liquid with a floral odor; [HSDB]
• COLORLESS LIQUID
• Floral odor
• Miscible with ethanol, ethyl ether, acetone; very soluble in chloroform
• When heated to decomposition it emits acrid smoke and irritating vapors.

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents

GHS Hazard Classification

Reported hazard statements	H302 (99.8%), H319 (90.9%), H227, H315, H335, H336

Documented Uses

• Used in flavors, perfumes, and as an intermediate for pharmaceuticals and dyestuffs; [HSDB]
• In perfumes; pharmaceutical and dyestuff intermediate, flavoring agent
• Derivatives: 4-methylphenylacetaldehyde
• 4-Methylbenzaldehyde is produced industrially by a modified Gattermann-Koch reaction. Toluene is reacted with carbon monoxide in the presence of hydrogen fluoride and tantalum(V) fluoride or hydrogen fluoride and boron trifluoride.
• Toluene + dimethylformamide (Vilsmeier reaction)
• Toluene + carbon monoxide (Gattermann-Koch reaction)

Synonyms

p-Tolualdehyde; 4-METHYLBENZALDEHYDE; 104-87-0; 4-Tolualdehyde; p-Tolylaldehyde; p-Formyltoluene; p-Methylbenzaldehyde; Benzaldehyde, 4-methyl-; p-Toluylaldehyde; para-Tolualdehyde; para-Methylbenzaldehyde; para-Toluyl aldehyde; Paratolualdehyde; 4-Toluylaldehyde; DTXSID9041520; GAX22QZ28Q

Frequently Asked Questions

What are the CAS number and molecular formula of p-Tolualdehyde?

CAS 104-87-0; molecular formula C8H8O; molecular weight — g/mol.

What other names is p-Tolualdehyde known by?

p-Tolualdehyde, 4-METHYLBENZALDEHYDE, 104-87-0, 4-Tolualdehyde, p-Tolylaldehyde, p-Formyltoluene.

What is the regulatory status of p-Tolualdehyde?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is p-Tolualdehyde classified as hazardous?

Hazard statements reported: H302, H319, H227, H315, H335.

What are the key physical properties of p-Tolualdehyde?

Boiling Point: 204 °C; Boiling Point: BP: 106 °C at 10 mm Hg; Boiling Point: 204.00 °C. @ 760.00 mm Hg; Melting Point: -6 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.