邻甲苯醛

Description

o-Tolualdehyde · CAS 529-20-4 · C8H8O. UNII Q7E5H6W6BG. Boiling Point: 392 to 396 °F at 760 mmHg (NTP, 1992); Boiling Point: 200 °C; Boiling Point: BP: 94 °C at 10 mm Hg.

Identification

CAS Registry Number	529-20-4
PubChem CID	10722
Molecular formula	C8H8O
IUPAC name	2-methylbenzaldehyde
UNII (FDA)	Q7E5H6W6BG

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	392 to 396 °F at 760 mmHg (NTP, 1992)
Boiling Point	200 °C
Boiling Point	BP: 94 °C at 10 mm Hg
Boiling Point	200.00 to 201.00 °C. @ 760.00 mm Hg
Melting Point	< 25 °C
Flash Point	153 °F (NTP, 1992)
Density	1.0328 g/cu cm at 20 °C
Vapor Pressure	0.33 [mmHg]
LogP	log kow = 2.26
LogP	2.26

Physical description & handling notes

• O-tolualdehyde is a clear liquid. (NTP, 1992)
• Liquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]
• Solid
• Liquid
• less than 1 mg/mL at 68 °F (NTP, 1992)
• Slightly soluble in water; soluble in carbon tetrachloride, ethanol, ethyl ether, benzene; very soluble in acetone

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents

GHS Hazard Classification

Reported hazard statements	H302 (64.1%), H314 (33.3%), H315 (62.8%), H318 (82.1%), H319 (44.9%), H335 (65.4%)

Documented Uses

• Has been detected in exhaust of internal combustion engines, in emissions from waste incineration and cook stoves, in brake lining and tire particles, and in trace amounts in garlic; [HSDB] Related compounds find uses in perfumes, pharmaceuticals, as dyestuff intermediates, and flavoring agents; [NTP]
• Prepared by reacting nitropropane with o-xylyl bromide in the presence of sodium ethanoate.
• p-Tolualdehyde was oxidized to p-toluic acid by resting cells of pseudomonas aeruginosa. Perillaldehyde dehydrogenase, isolated from soil pseudomonad, catalyzed the oxidn of m- & p-tolualdehyde but not o-tolualdehyde.
• Aldehydes are readily oxidized to organic acids. Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/

Synonyms

2-Methylbenzaldehyde; O-TOLUALDEHYDE; 529-20-4; 2-Tolualdehyde; 2-Formyltoluene; o-Tolylaldehyde; o-Toluylaldehyde; o-Methylbenzaldehyde; o-Toluic aldehyde; Benzaldehyde, 2-methyl-; o-Methylbenazldehyde; Toluic aldehyde; DTXSID1022051; Q7E5H6W6BG; NSC-103152; DTXCID102051

Frequently Asked Questions

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

CAS 529-20-4; molecular formula C8H8O; molecular weight — g/mol.

What other names is o-Tolualdehyde known by?

2-Methylbenzaldehyde, O-TOLUALDEHYDE, 529-20-4, 2-Tolualdehyde, 2-Formyltoluene, o-Tolylaldehyde.

What is the regulatory status of o-Tolualdehyde?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is o-Tolualdehyde classified as hazardous?

Hazard statements reported: H302, H314, H315, H318, H319.

What are the key physical properties of o-Tolualdehyde?

Boiling Point: 392 to 396 °F at 760 mmHg (NTP, 1992); Boiling Point: 200 °C; Boiling Point: BP: 94 °C at 10 mm Hg; Boiling Point: 200.00 to 201.00 °C. @ 760.00 mm Hg.

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.