p-Tolualdehyde (CAS 104-87-0) — formula C8H8O, molecular weight 120.15; category organic chemicals.
Documented applications: 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, Use Classification: Fragrance Ingredients, Industry Uses: Intermediate, Fragrance, Consumer Uses: Intermediate, Methods of Manufacturing: 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), Formulations, Preparations: Grades: Technical, Pure., U.S. Production: 2023: 28, 204 lb, 2022: 37, 632 lb, 2021: 44, 764 lb, 2020: 49, (1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5372], U.S. Imports: (1979) 8.25X10+5 GRAMS, (1981) 3.60X10+5 GRAMS, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Not Known or Reasonably Ascertainable, Benzaldehyde, 4-methyl-: ACTIVE.
p-Tolualdehyde is a carbon-based organic compound with CAS registry number 104-87-0 and molecular formula C8H8O (molecular weight 120.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 104-87-0
Its molecular formula C8H8O comprises 8 C, 8 H, 1 O atoms.
Also known as: p-Tolualdehyde · 4-Methyl Benzaldehyde
Category: organic chemicals
The CAS registry number of p-Tolualdehyde is 104-87-0.
Molecular formula C8H8O, molecular weight 120.15.
It is also registered under: p-Tolualdehyde, 4-Methyl Benzaldehyde.
Recorded applications: 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, Use Classification: Fragrance Ingredients, Industry Uses: Intermediate, Fragrance, Consumer Uses: Intermediate, Methods of Manufacturing: 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), Formulations, Preparations: Grades: Technical, Pure., U.S. Production: 2023: 28, 204 lb, 2022: 37, 632 lb, 2021: 44, 764 lb, 2020: 49, (1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5372], U.S. Imports: (1979) 8.25X10+5 GRAMS, (1981) 3.60X10+5 GRAMS, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Not Known or Reasonably Ascertainable, Benzaldehyde, 4-methyl-: ACTIVE.
Category: Organic Chemicals.
Public-database records for p-Tolualdehyde (CAS 104-87-0), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (99.8%), H319 (90.9%), H227, H315, H335, H336 |
|---|
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|
| 沸点 | 204 °C |
|---|---|
| 沸点 | BP: 106 °C at 10 mm Hg |
| 沸点 | 204.00 °C. @ 760.00 mm Hg |
| 熔点 | -6 °C |
| 溶解度 | In water, 2.27X10+3 mg/L at 25 °C |
| 溶解度 | 2.27 mg/mL at 25 °C |
| 密度 | 1.0194 g/cu cm at 17 °C |
| 蒸气压 | 0.25 [mmHg] |
| 蒸气压 | 2.5X10-1 mm Hg at 25 °C |
| CAS Registry Number | 104-87-0 |
|---|---|
| PubChem CID | 7725 |
| 分子式 | C8H8O |
| IUPAC 名称 | 4-methylbenzaldehyde |
| UNII（FDA） | GAX22QZ28Q |
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
| 分子量 | 120.15 |
|---|---|
| XLogP3 | 2.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 1 |
| 精确质量 | 120.057514874 |
| 单同位素质量 | 120.057514874 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
p-Tolualdehyde · CAS 104-87-0 · C8H8O. UNII GAX22QZ28Q. 沸点: 204 °C; 沸点: BP: 106 °C at 10 mm Hg; 沸点: 204.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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