(3,5-Dimethylphenyl)acetic acid

Basic Information

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CAS Number

42288-46-0

Molecular Formula

C10H12O2

Molecular Weight

164.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

98-102 ºC

Density

1.0980

SMILES

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

InChI

InChI=1S/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChIKey

HDNBKTWQBJJYPD-UHFFFAOYSA-N

LogP

1.93054

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

155

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(3,5-dimethylphenyl)acetic acid
(3,5-dimethyl-phenyl)-acetic acid
AE-562/43359417
Z274447882
3,5-dimethylphenylacetic acid, AldrichCPR
DTXSID70406313
BP-12636
SY106488
CK2071
MFCD00082776
AB03133
2-(3,5-dimethylphenyl)acetic acid
AS-45863
SCHEMBL593771
3,5-Dimethylphenyl Acetic Acid
CS-W016090
3-(5-Thiophen-2-yl-furan-2-yl)-propionicacid
(3,5-XYLYL)ACETIC ACID
AKOS000274304
FT-0614700
YSZC2260
42288-46-0
EN300-119864
F1983-0024
3,5-DIMETHYLPHENYLACETIC ACID
3,5-Dimethylphenylacetic acid
(3,5-Dimethylphenyl)acetic acid
Aceticacid, 3,5-xylyl- (6CI)
3,5-Dimethylbenzeneacetic acid
3,5-Xylylaceticacid
Benzeneacetic acid, 3,5-dimethyl-

MDL Number

MFCD00082776

Customs Code

2916399090

FAQ

What is (3,5-Dimethylphenyl)acetic acid (CAS: 42288-46-0)?

(3,5-Dimethylphenyl)acetic acid, with CAS number 42288-46-0, is a chemical compound with the molecular formula C9H10O2. It is an aromatic carboxylic acid with two methyl groups attached to the phenyl ring. This compound is characterized by its acidic nature and is soluble in organic solvents.

What are the main uses of (3,5-Dimethylphenyl)acetic acid (CAS: 42288-46-0)?

(3,5-Dimethylphenyl)acetic acid is primarily used as an intermediate in the synthesis of pharmaceuticals, specifically for the production of nonsteroidal anti-inflammatory drugs (NSAIDs). It also finds applications in the preparation of other organic compounds and in research settings.

Is (3,5-Dimethylphenyl)acetic acid (CAS: 42288-46-0) safe?

(3,5-Dimethylphenyl)acetic acid is generally considered safe under normal handling conditions. However, it is corrosive and can irritate the skin, eyes, and respiratory system. Proper protective measures, such as gloves and safety glasses, should be used when handling this compound. It should be stored in a well-ventilated area and kept away from sources of ignition.

How should (3,5-Dimethylphenyl)acetic acid (CAS: 42288-46-0) be stored?

(3,5-Dimethylphenyl)acetic acid should be stored in a cool, dry place away from heat and direct sunlight. It should be kept in a sealed container to prevent moisture absorption. The container should be labeled with the CAS number and proper handling instructions. Avoid contact with oxidizing agents and store in a well-ventilated area.