2-Methoxy-6-methylbenzoic acid

Basic Information

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CAS Number

6161-65-5

Molecular Formula

C9H10O3

Molecular Weight

166.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

295.8°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

MICCJGFEXKNBLU-UHFFFAOYSA-N

LogP

1.7018199999999999

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

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

2-Methoxy-6-methylbenzoic acid #
NSC 118167
EN300-206044
Q63409673
Methyl2-amino-5-nitrobenzoate
MFCD00463871
NSC-118167
2-Methoxy-6-methylbenzoic acid
AKOS000109289
FS-3241
M3208
A8537
2-Methyl-6-methoxybenzoic acid
MB01234
A833334
6-Methyl-o-anisic acid
EC 612-182-4
Z1198153665
Benzoic acid, 2-methoxy-6-methyl-
2-methoxy-6-methyl-benzoic acid
2-Methoxy-6-methylbenzoicacid
6-methyl-2-methoxybenzoic acid
BP-10953
FT-0651158
DTXSID20297798
SY027948
J-509842
6161-65-5
NS00009078
2-Methoxy-6-methylbenzoic acid, AldrichCPR
NSC118167

MDL Number

MFCD00463871

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5)?

2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5) is a crystalline solid with a molecular weight of approximately 183.2 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive, particularly towards nucleophiles, and can undergo esterification and other acid-based reactions.

How is 2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5) typically synthesized?

2-Methoxy-6-methylbenzoic acid is typically synthesized through the methylation of methyl benzoate followed by the methoxylation of 6-methylbenzoic acid. Commonly, this involves the use of methyl iodide and a strong base like sodium hydroxide, followed by the addition of methanol and further acidification with hydrochloric acid.

What industries use 2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5)?

2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5) is used in various industries, including pharmaceuticals for synthesizing certain drugs, in polymer science for modifying properties, and in sensors for detection purposes. It is also used in the production of some organic semiconductors.

What precautions should be taken when handling 2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5)?

When handling 2-Methoxy-6-methylbenzoic acid (CAS: 6161-65-5), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a closed container away from moisture and heat. In case of a spill, it should be wiped up carefully, and the area should be cleaned with water. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.