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3,4,5-Trimethoxyphenol

3,4,5-Trimethoxyphenol structure

CAS No:
642-71-7
Formula:
C9H12O4
Chemical Name:
3,4,5-Trimethoxyphenol
Synonyms:
Phenol,3,4,5-trimethoxy-;3,4,5-Trimethoxyphenol;Antiarol
Categories:
Pharmaceutical Intermediates > Anxiolytics

Description

Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Salmaliamalabaricum.

3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes.

3,4,5-Trimethoxyphenol Basic Attributes

Molecular Weight：

184.18900

Exact Mass：

184.19

EC Number：

211-387-2

DSSTox ID：

DTXSID20214405

HScode：

2909500000

Characteristics

PSA：

47.92000

XLogP3：

0.5

Appearance：

Slightly brown powder.

Density：

1.152g/cm3

Melting Point：

148 °C

Boiling Point：

283ºC

Flash Point：

143.2ºC

Refractive Index：

1.514

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from

Collision Cross Section：

133.5 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4,5-Trimethoxyphenol Use and Manufacturing

3,4,5-Trimethoxyphenol is a useful synthetic intermediate in the synthesis of Thymonin; a flavonoid compound with potential antioxidant activity against peroxyl radicals.

Computed Properties

Molecular Weight:184.19
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:184.07355886
Monoisotopic Mass:184.07355886
Topological Polar Surface Area:47.9
Heavy Atom Count:13
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sulfuric acid

Dimethyl sulfate

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