p-Tolualdehyde

CAS 104-87-0C8H8OMW 120.15

p-Tolualdehyde（CAS 104-87-0）：分子式 C8H8O、分子量 120.15；类别有机化学品。

规格参数

CAS号104-87-0

分子式C8H8O

分子量120.15

熔点-6 °C

沸点204 °C

LogP2.1

应用领域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

类别Organic Chemicals

用途与场景

登记用途：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。

采购档案

这个产品是什么

p-Tolualdehyde 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 104-87-0，分子式 C8H8O（分子量 120.15），归属于有机化学品大类化工原料。

识别信息

登记 CAS 号：104-87-0

其分子式 C8H8O 由 8 个碳、8 个氢、1 个氧组成。

别名/同义词：p-Tolualdehyde · 4-Methyl Benzaldehyde

所属分类：有机化学品

常见问题

p-Tolualdehyde 的 CAS 号是多少？

p-Tolualdehyde 的 CAS 登记号为 104-87-0。

p-Tolualdehyde 的分子式与分子量是多少？

分子式 C8H8O，分子量 120.15。

p-Tolualdehyde 还有哪些别名？

别名/同义词：p-Tolualdehyde、4-Methyl Benzaldehyde。

p-Tolualdehyde 的登记用途是什么？

登记用途：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 属于哪个分类？

所属分类：Organic Chemicals。

PubChem 公开数据

p-Tolualdehyde（CAS 104-87-0）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

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]

法规与备案状态

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents

物理形态与操作说明

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.

公开数据库收录的理化数据

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

这个物质在各数据库里的编号

CAS Registry Number	104-87-0
PubChem CID	7725
分子式	C8H8O
IUPAC 名称	4-methylbenzaldehyde
UNII（FDA）	GAX22QZ28Q

数据库记载的用途

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)

它在各数据库里的别名

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

计算机算出的分子描述符

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

数据库摘要

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.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。