1,2,4-Trimethoxybenzene

Basic Information

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CAS Number

135-77-3

Molecular Formula

C9H12O3

Molecular Weight

168.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

19 - 21

Boiling Point

247°C

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.533(lit.)

SMILES

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COC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3

InChIKey

AGIQIOSHSMJYJP-UHFFFAOYSA-N

LogP

1.7124

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

127

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

BDBM50336489
1,2,4-Trimethoxybenzene
1,2,5-TRIMETHOXYBENZENE
AKOS015851701
W-108257
UNII-3KU3WD07SS
135-77-3
DTXSID5035163
EPA Pesticide Chemical Code 040515
CHEMBL1668605
MFCD00008360
AI3-20797
Z1255382978
3KU3WD07SS
EINECS 205-219-7
A806985
InChI=1/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
CAS-135-77-3
SY014691
FT-0627148
PS-5199
EN300-187594
AGIQIOSHSMJYJP-UHFFFAOYSA-
CHEBI:167092
CS-W017803
DTXCID3015163
Tox21_300993
1,2,4-BENZENETRIOL TRIMETHYL ETHER
F11207
TRIMETHOXYBENZENE, 1,2,4-
Hydroxyhydroquinone trimethyl ether

MDL Number

MFCD00008360

Customs Code

29093090

FAQ

What is 1,2,4-Trimethoxybenzene (CAS: 135-77-3)?

1,2,4-Trimethoxybenzene (CAS: 135-77-3) is an organic compound with the chemical formula C9H12O3. It is a derivative of benzene with three methoxy groups attached to positions 1, 2, and 4. This compound is known for its aromatic structure and is commonly used in chemical research and industrial applications. It has a moderate solubility in organic solvents and is typically a colorless liquid.

What are the main uses of 1,2,4-Trimethoxybenzene (CAS: 135-77-3)?

1,2,4-Trimethoxybenzene (CAS: 135-77-3) is used in pharmaceutical research as a potential intermediate in drug synthesis. It also finds applications in the production of dyes, perfumes, and organic chemicals. Additionally, it is used in the development of agrochemicals and as a solvent in various industrial processes. Its versatility makes it relevant in chemical research and manufacturing.

Is 1,2,4-Trimethoxybenzene (CAS: 135-77-3) safe?

1,2,4-Trimethoxybenzene (CAS: 135-77-3) is generally considered safe when handled properly, but it should be treated with caution. It may cause skin and eye irritation, so protective gloves, goggles, and ventilation are recommended. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures. It is not classified as highly toxic but requires adherence to standard chemical safety protocols.

How should 1,2,4-Trimethoxybenzene (CAS: 135-77-3) be stored?

1,2,4-Trimethoxybenzene (CAS: 135-77-3) should be stored in a cool, dry, and well-ventilated area, away from light and heat sources. It is best kept in a sealed, airtight container made of glass or stainless steel to prevent contamination. Storage at temperatures below 25°C is recommended to maintain its stability and prevent degradation.