3,4,5-Trimethoxyphenol

Basic Information

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CAS Number

642-71-7

Molecular Formula

C9H12O4

Molecular Weight

184.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

Powder

Melting Point

145-149 °C

Boiling Point

278.13°C (rough estimate)

Density

1.2067 (rough estimate)

Flash Point

143.2°C

Solubility

Soluble in chloroform.

Refractive Index

1.4345 (estimate)

SMILES

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COC1=CC(=CC(=C1OC)OC)O

InChI

InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3

InChIKey

VTCDZPUMZAZMSB-UHFFFAOYSA-N

LogP

1.418

Topological Polar Surface Area

47.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

137

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

Sensitiveness

Light Sensitive

Synonyms & References

English

HY-W016289
KBioSS_001005
KBio2_001005
KBio1_001663
3',4',5'-TRIMETHOXYPHENOL
3,4,5-Trimethoxyphenol
3,4,5-trimethoxyphenol;Antiarol
CS-W017005
W-104852
s4936
KBioGR_002093
KBio2_003573
BRD-K28698314-001-01-3
Antiarol
Spectrum_000525
Spectrum5_000193
CCG-214337
SpecPlus_000623
FT-0614170
Phenol, 3,4,5-trimethoxy-
CHEBI:2760
AC-5984
BSPBio_002596
A834698
TRIMETHOXYPHENOL, 3,4,5-
Spectrum4_001487
SY061990
DivK1c_006719
SCHEMBL210578
GF-0143
UNII-WXG8D4R582

MDL Number

MFCD00008389

Customs Code

2909500000

FAQ

What is 3,4,5-Trimethoxyphenol (CAS: 642-71-7)?

3,4,5-Trimethoxyphenol is an organic compound with the chemical formula C9H10O3. It is a phenolic compound with three methoxy groups attached to the 3, 4, and 5 positions of the benzene ring. It is a colorless to light yellow liquid with a distinctive odor.

What are the main uses of 3,4,5-Trimethoxyphenol (CAS: 642-71-7)?

3,4,5-Trimethoxyphenol is used in the pharmaceutical industry as an intermediate for the synthesis of other compounds. It is also used in the production of dyes and pigments, as a precursor in the manufacturing of certain chemicals, and in the preparation of antioxidant compounds. Additionally, it has limited use in the food industry as a flavor enhancer.

Is 3,4,5-Trimethoxyphenol (CAS: 642-71-7) safe?

3,4,5-Trimethoxyphenol is generally considered safe when handled properly. However, it can cause skin and eye irritation. It is important to follow safety precautions, such as wearing appropriate protective gear (gloves, goggles, and lab coats) and avoiding contact with skin and eyes. It should be stored in a cool, dry place away from direct sunlight and heat sources. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

How should 3,4,5-Trimethoxyphenol (CAS: 642-71-7) be stored?

3,4,5-Trimethoxyphenol should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. Avoid storing it in plastic containers as it may cause cracking or degradation. Maintain a temperature range of 15-25°C and a relative humidity below 60%. Ensure good ventilation to avoid the formation of explosive mixtures when exposed to air or oxygen. Store it in a well-labeled, fireproof cabinet or an area with appropriate fire safety measures.