Benzylmalonic acid

Basic Information

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CAS Number

616-75-1

Molecular Formula

C10H10O4

Molecular Weight

194.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

118.0 to 122.0 deg-C

Boiling Point

290.62°C (rough estimate)

Density

1.2534 (rough estimate)

Flash Point

196.8 °C

Refractive Index

1.5430 (estimate)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)

InChIKey

JAEJSNFTJMYIEF-UHFFFAOYSA-N

LogP

1.0145000000000002

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

204

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

Synonyms & References

English

CS-0106201
MALONIC ACID, BENZYL-
BDBM50167964
InChI=1/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
USAF XR-36
EN300-17393
AS-57361
2-benzylpropanedioic acid
9BJY4TT4MH
Malonic acid, 2-benzyl-
2-Benzylmalonate
4-09-00-03357 (Beilstein Handbook Reference)
DTXSID00210607
MFCD00004261
A833357
Benzomalonate acid
CHEMBL3799891
JAEJSNFTJMYIEF-UHFFFAOYSA-
Benzylmalonic acid
SCHEMBL392827
Benzylmalonic acid, purum, >=98.0% (T)
BRN 0643530
NSC-8068
SY051593
WLN: QVYVQ1R
Benzylmalonic acid, 99%
AI3-23865
1,1-Ethanedicarboxylic acid, 2-phenyl-
AKOS000120396
ss--Phenylisosuccinic acid
EINECS 210-491-5

MDL Number

MFCD00004261

Customs Code

2917399090

FAQ

What regulatory guidelines apply to benzylmalonic acid (CAS: 616-75-1)?

Benzylmalonic acid (CAS: 616-75-1) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in Europe, and FDA guidelines in the United States. It is also regulated by the EPA for environmental and safety standards. Manufacturers and handlers must follow these guidelines to ensure safety and compliance.

Are there alternatives to benzylmalonic acid (CAS: 616-75-1) in synthesis?

There are several alternatives to benzylmalonic acid (CAS: 616-75-1) in synthesis, including malonic acid, benzylamine, and various anhydrides. These alternatives can offer similar functionalities depending on the specific needs of the synthetic pathway. The choice of alternative often depends on reactivity, solubility, and cost.

What is the market or research trend for benzylmalonic acid (CAS: 616-75-1)?

The market for benzylmalonic acid (CAS: 616-75-1) is growing as it is increasingly used in pharmaceuticals, agrochemicals, and biocatalysis. Research trends indicate a focus on its use as a precursor in the synthesis of valuable compounds, with an emphasis on developing greener and more sustainable synthetic routes.

How should waste containing benzylmalonic acid (CAS: 616-75-1) be handled?

Waste containing benzylmalonic acid (CAS: 616-75-1) should be collected in appropriate containers and stored away from incompatible materials. Proper incineration or professional waste disposal services are recommended to ensure compliance with environmental regulations. Precautions should be taken to prevent spills and to ensure the waste is not released into the environment.