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3,5-Dimethoxyphenol

3,5-Dimethoxyphenol structure

CAS No:
500-99-2
Formula:
C8H10O3
Chemical Name:
3,5-Dimethoxyphenol
Synonyms:
Phenol,3,5-dimethoxy-;3,5-Dimethoxyphenol;Phloroglucinol dimethyl ether;Taxicatigenin;1-Hydroxy-3,5-dimethoxybenzene;NSC 70955
Categories:
Chemical Reagents > Organic Reagents

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Description

3,5-Dimethoxyphenol is a toxin metabolite, found in human consuming yew leaves[1].

3,5-Dimethoxyphenol is a member of methoxybenzenes and a member of phenols.

3,5-Dimethoxyphenol Basic Attributes

Molecular Weight：

154.165

Exact Mass：

154.16

EC Number：

207-917-7

UNII：

23UXW8136A

NSC Number：

70955

DSSTox ID：

DTXSID7075426

HScode：

2909500000

Characteristics

PSA：

38.7

XLogP3：

1.6

Appearance：

slightly pink to yellow crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

37 °C

Boiling Point：

199 °C

Flash Point：

78.3±0.0 °C

Refractive Index：

1.523

Water Solubility：

Soluble in methanol, ethanol, benzene, water (slightly), and chloroform.

Storage Conditions：

Store in dark

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

Marks：

Xi:Irritant;

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

Drug Information

MeSH Entry Terms：

1,3-dimethoxy-5-hydroxybenzene

3,5-Dimethoxyphenol Use and Manufacturing

3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent.

Computed Properties

Molecular Weight:154.16
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.062994177
Monoisotopic Mass:154.062994177
Topological Polar Surface Area:38.7
Heavy Atom Count:11
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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