Methyl 2-formylbenzoate

Basic Information

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CAS Number

4122-56-9

Molecular Formula

C9H8O3

Molecular Weight

164.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

280°C at 760 mmHg

Density

1.181

Flash Point

122.2 °C

Refractive Index

1.5411

SMILES

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COC(=O)C1=CC=CC=C1C=O

InChI

InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3

InChIKey

YRMODRRGEUGHTF-UHFFFAOYSA-N

LogP

1.2856999999999998

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

177

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-formylbenzoic acid methyl ester
SCHEMBL121356
P9JT9BVR5L
Methyl 2-formylbenzenecarboxylate
2-Carbomethoxybenzaldehyde
J-522021
Benzoic acid, formyl-, methyl ester
Methyl o-formylbenzoate
EN300-13720
4122-56-9
2-formyl-benzoic acid methyl ester
O-(METHOXYCARBONYL)BENZALDEHYDE
MFCD00204231
CS-W004677
CL8542
Benzoic acid, 2-formyl-, methyl ester
Phthalaldehydic acid, methyl ester
SY012783
Methyl 2-formylbenzoate
10X-0992
FT-0628455
NSC52152
Z54125420
2-(Methoxycarbonyl)benzaldehyde
A20418
Formyl-benzoic acid methyl ester
AKOS001111170
METHYL PHTHALALDEHYDATE
DTXSID60961507
NSC-52152
GLYCEROPHOSPHATEDISODIUMSALT:HYDRATE

MDL Number

MFCD00204231

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Methyl 2-formylbenzoate (CAS: 4122-56-9)?

Methyl 2-formylbenzoate (CAS: 4122-56-9) is subject to various regulatory guidelines. It is classified under the GHS system as an irritant and requires appropriate safety data sheets (SDS) and labels. Under the REACH regulations in the European Union, it must be evaluated for potential hazards, and manufacturers and importers must register the substance if the quantities exceed certain thresholds. Additionally, the FDA and EPA have specific guidelines for its use and disposal in the United States, focusing on environmental and safety aspects.

Are there alternatives to Methyl 2-formylbenzoate (CAS: 4122-56-9) in synthesis?

Methyl 2-formylbenzoate (CAS: 4122-56-9) can be synthesized using alternative reagents such as methyl 2-carbonylbenzoate. Other alternatives include using methyl benzoates with different functional groups, such as methyl 3-formylbenzoate or methyl 4-formylbenzoate, which can serve similar purposes in various applications. These alternatives offer flexibility in chemical synthesis, depending on the specific requirements of the reaction.

What is the market or research trend for Methyl 2-formylbenzoate (CAS: 4122-56-9)?

The market for Methyl 2-formylbenzoate (CAS: 4122-56-9) shows steady growth due to its use in the fragrance and flavor industry. Research trends are focusing on its potential as a precursor in the synthesis of other compounds and its application in pharmaceuticals. The industry is also exploring its environmental impact and sustainable production methods. Price trends indicate a stable market, with minor fluctuations influenced by supply chain dynamics and demand in targeted sectors.

How should waste containing Methyl 2-formylbenzoate (CAS: 4122-56-9) be handled?

Waste containing Methyl 2-formylbenzoate (CAS: 4122-56-9) should be collected and disposed of in accordance with local and international regulations. This includes proper labeling and packaging to prevent spills and exposure. The waste should be incinerated or disposed of through professional waste disposal services to ensure environmental safety. Environmental protection measures include ensuring the waste does not contaminate soil or water sources. Staying informed about the latest disposal methods and regulations is crucial for safe management.