5-Methylisophthalic acid

Basic Information

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CAS Number

499-49-0

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

299-303 °C

Boiling Point

408.7℃ at 760 mmHg

Density

1.377

Flash Point

215.1℃

SMILES

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CC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChIKey

PMZBHPUNQNKBOA-UHFFFAOYSA-N

LogP

1.39142

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

202

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

Synonyms & References

English

5-methylbenzene-1,3-dicarboxylic acid
5-Methylisophthalic acid
SY005375
Isophthalic acid, 5-methyl-
AM20060639
5-Methylisophthalic acid, 97%
M1903
EN300-113870
5-MethylisophthalicAcid
toluene-3,5-dicarboxylic acid
AKOS015891094
EINECS 207-881-2
FT-0620641
NSC41436
NS00031983
MFCD00013986
5-Methyl-1,3-benzenedicarboxylic acid
Z1255485636
1,3-Benzenedicarboxylic acid, 5-methyl-
5-methyl-1,3-benzoic acid
NSC-41436
L828A4V3R6
UNII-L828A4V3R6
NSC 41436
CS-W016008
DTXSID50198143
Uvitinsaure
499-49-0
PS-3522
SCHEMBL40661
UVITIC ACID

MDL Number

MFCD00013986

Customs Code

2917399090

FAQ

What are the physical and chemical properties of 5-Methylisophthalic acid (CAS: 499-49-0)?

5-Methylisophthalic acid (CAS: 499-49-0) is a white crystalline solid with a molecular weight of approximately 166.13 g/mol. It is slightly soluble in water, with a solubility of about 0.5 g/L at 25°C. This compound exhibits moderate reactivity, particularly in esterification reactions. It is used in the synthesis of polymers and pharmaceuticals.

How is 5-Methylisophthalic acid (CAS: 499-49-0) typically synthesized?

5-Methylisophthalic acid is typically synthesized by the oxidation of 4-methylanisole using a suitable oxidizing agent such as potassium permanganate or sodium periodate. This process yields a mixture that can be purified by recrystallization or other separation techniques. The reaction is highly selective, providing good yields of the desired product.

What industries use 5-Methylisophthalic acid (CAS: 499-49-0)?

5-Methylisophthalic acid (CAS: 499-49-0) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various polymers and is also employed in the production of pharmaceuticals, particularly in the development of certain active pharmaceutical ingredients (APIs).

What precautions should be taken when handling 5-Methylisophthalic acid (CAS: 499-49-0)?

When handling 5-Methylisophthalic acid (CAS: 499-49-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. Handle in a fume hood to avoid inhalation. Spills should be handled carefully, and the area should be thoroughly cleaned. Refer to the safety data sheet (SDS) for detailed handling and disposal information.