3,3-Dimethylpentanedioic acid

Basic Information

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CAS Number

4839-46-7

Molecular Formula

C7H12O4

Molecular Weight

160.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

102.0 to 105.0 deg-C

Boiling Point

290 ºC

Flash Point

89-90℃/2mm

Refractive Index

1.4336 (estimate)

SMILES

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

InChI

InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

DUHQIGLHYXLKAE-UHFFFAOYSA-N

LogP

0.962

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

153

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

BB 0305522
NS00014705
NSC14987
NSC-49114
LMFA01170086
SCHEMBL48109
NCGC00247443-02
Z104510054
3,3-dimethyl-glutaric acid
MLS001075162
SMR000639427
s6283
3,3-DIMETHYLGLUTARIC ACID
AC-8755
3,3-dimethylpentanedioate
CS-W008097
3,3-Dimethylglutaric acid, 98%
NCGC00247443-01
b,b-Dimethylglutarate
CHEMBL1605317
NSC49114
b,b-Dimethylglutaric acid
FT-0614079
SY017986
.beta.,.beta.-Dimethylglutaric acid
HMS2205F12
TF8F62R475
beta,beta-Dimethylglutaric acid
4839-46-7
EINECS 225-425-0
Pentanedioic acid,3-dimethyl-

MDL Number

MFCD00002716

Customs Code

29171990

FAQ

What regulatory guidelines apply to 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7)?

3,3-Dimethylpentanedioic acid (CAS: 4839-46-7) falls under the scope of the REACH regulation in the European Union, governing chemical substances and their safe use. It also requires classification and labelling according to GHS standards. In the US, it is regulated by the EPA and FDA for environmental and food applications, respectively.

Are there alternatives to 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7) in synthesis?

Various alternatives can be used in the synthesis of 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7), such as 3-methylbutanedioic acid or 3-methylpentanedioic acid. Isomers or analogs like 2,2-dimethylbutanedioic acid can also serve as viable substitutes depending on the specific reaction conditions and desired properties.

What is the market or research trend for 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7)?

The market for 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7) is growing due to its use in polymeric applications, pharmaceuticals, and food additives. Research trends include exploring its potential in novel polymer formulations and applications in the cosmetic industry. Price trends indicate a steady demand with slight fluctuations based on supply chain dynamics and economic factors.

How should waste containing 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7) be handled?

Waste containing 3,3-Dimethylpentanedioic acid (CAS: 4839-46-7) should be collected in appropriate containers and stored in a cool, dry place away from incompatible materials. For disposal, it is recommended to use professional waste disposal services that can handle hazardous chemicals. Proper environmental protection measures, such as containment and spill control, should be implemented to ensure safety during handling and disposal.