2-Benzylsuccinic acid

Basic Information

View in Editor

CAS Number

884-33-3

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

161-163 °C

Boiling Point

331.4°C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

168.4±18.8 °C

Refractive Index

1.567

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

View in Editor

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

InChI

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)

InChIKey

GTOFKXZQQDSVFH-UHFFFAOYSA-N

LogP

1.4046

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

231

Safety Information

View Safety Information

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

Synonyms & References

English

^a-Benzylsuccinic acid
2-Benzylsuccinic acid
DL-BENZYLSUCCINIC ACID
alpha-Benzylsuccinic acid
Benzylsuccinic acid
2-benzylbutanedioic acid
NSC20708
Butanedioic acid,2-(phenylmethyl)-
.alpha.-Benzylsuccinic acid
(phenylmethyl)butanedioic acid
D,L-Benzylsuccinic Acid
beta-carboxybenzenebutanoic acid
GTOFKXZQQDSVFH-UHFFFAOYSA-N
Benzenebutanoic acid, .beta.-carboxy-
2-Benzyl-succinic acid
mono benzyl succinic acid
DL-Benzylsuccinic acid
2-(Phenylmethyl)butanedioic acid (ACI)
Butanedioic acid, (phenylmethyl)- (9CI)
Succinic acid, benzyl- (6CI, 7CI, 8CI)
2-Benzylbutanedioic acid
NSC 20708
α-Benzylsuccinic acid
NCI60_001739
DTXSID90859847
SCHEMBL393002
AB01317455-02
AKOS016038118
BIM-0015709.P001
alpha -Benzylsuccinic acid
STK524740

MDL Number

MFCD00055798

Customs Code

2917399090

FAQ

What regulatory guidelines apply to 2-Benzylsuccinic acid (CAS: 884-33-3)?

2-Benzylsuccinic acid (CAS: 884-33-3) falls under various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a skin and eye irritant according to GHS. Under REACH, it must undergo safety assessments for registration and authorization if used in concentrations above one tonne per year. Additionally, the compound is subject to environmental protection measures to prevent release into the environment.

Are there alternatives to 2-Benzylsuccinic acid in synthesis (CAS: 884-33-3)?

Several alternatives to 2-Benzylsuccinic acid can be used in synthesis, including other succinic acid derivatives or substituted benzoic acid compounds. Common substitutes include 4-Benzylsuccinic acid and other benzoic acid analogs. These alternatives offer similar functional groups but with different substituents, providing flexibility in chemical synthesis.

What is the market or research trend for 2-Benzylsuccinic acid (CAS: 884-33-3)?

The market for 2-Benzylsuccinic acid (CAS: 884-33-3) is trending towards increased research and development in pharmaceutical applications, particularly in drug intermediates and prodrugs. There is also growing interest in its use in the formulation of topical treatments for skin conditions. Research is focusing on its potential as a precursor in the synthesis of more complex molecules and its biodegradability, making it a sustainable choice in various industries.

How should waste containing 2-Benzylsuccinic acid (CAS: 884-33-3) be handled?

Waste containing 2-Benzylsuccinic acid (CAS: 884-33-3) should be handled in accordance with environmental protection regulations. It is recommended to collect the waste in appropriate containers and ensure proper labeling. For disposal, incineration is a common method, but professional waste disposal services should be used for large quantities or hazardous waste. Environmental precautions include neutralizing any acidic components before disposal to prevent soil and water contamination.