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1,2,4-Benzenetriol

1,2,4-Benzenetriol structure

CAS No:
533-73-3
Formula:
C6H6O3
Chemical Name:
1,2,4-Benzenetriol
Synonyms:
1,2,4-Benzenetriol;Hydroxyhydroquinone;1,2,4-Trihydroxybenzene;2,5-Dihydroxyphenol;1,3,4-Trihydroxybenzene;1,3,4-Benzenetriol;2-Hydroxy-1,4-hydroquinone;2-Hydroxy-p-benzohydroquinone;4-Hydroxycatechol;HHQ;NSC 2818;2-Hydroxyhydroquinone;1,2,5-Benzenetriol
Categories:
Cosmetic Ingredient > Hair Dyeing

Description

Gray powder

Benzene-1,2,4-triol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 4. It has a role as a mouse metabolite.

1,2,4-Benzenetriol Basic Attributes

Molecular Weight：

126.11

Exact Mass：

126.11

BRN：

2042863

EC Number：

208-575-1

UNII：

173O8B04RD

NSC Number：

2818

DSSTox ID：

DTXSID3040930

HScode：

2907299090

Characteristics

PSA：

60.7

XLogP3：

1.5

Appearance：

dark blue powder

Density：

1.5±0.1 g/cm3

Melting Point：

140.5 °C

Boiling Point：

165 °C @ Press: 4 Torr

Flash Point：

176.9±14.2 °C

Refractive Index：

1.677

Water Solubility：

H2O: freely soluble

Storage Conditions：

Keep Cold

Toxicity：

Subcutaneous-mouse LD50; 122 mg/kg year; peritoneal-mouse LDL0: 125 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41-36/37/38-20/21/22

safety instructions：

26-39-36/37/39-22

RTECS Number：

DC4200000

Marks：

Xn,Xi

Storage features：

Ventilated, low temperature and dry; stored separately from food materials in warehouse

Hazard note：

Irritant/Keep Cold/Air Sensitive

Stability/Shelf Life：

Stable under normal temperatures and pressures. May discolor on exposure to air. Light sensitive.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (92.16%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

1,2,4-benzenetriol

1,2,4-Benzenetriol Use and Manufacturing

Methods of Manufacturing

1, 2, 4-Pyrogallol triacetate is prepared from p-benzoquinone and acetic anhydride, which is then obtained by the action of hydrochloric acid. 1. Preparation of 1, 1, 2, 4-Pyrogallol Triacetate Dry p-benzoquinone is added to the mixture of acetic anhydride and concentrated sulfuric acid in portions, the reaction temperature is 40-50°C, and the reaction is 1-3h. Add cold water to the reactant, filter the precipitated precipitate, wash with cold water, and recrystallize with alcohol to obtain 1, 2, 4-benzenetriol triacetate. Melting point 96.5-97°C. 2. Preparation of pyrogallol 5% hydrochloric acid and 1, 2, 4-pyrogallol triacetate are stirred and heated to 90°C, hydrolyzed for 20 min, and cooled. Neutralize with sodium carbonate and filter. The filtrate is extracted with ether, and the ether extract is heated to evaporate the ether to obtain 1, 2, 4-benzenetriester.

Uses

A metabolite of benzene.

Manufacturing Info：

1,2,4-Benzenetriol: ACTIVE

Use Classification：

Cosmetics -> Hair dyeing

Computed Properties

Molecular Weight:126.11
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:126.031694049
Monoisotopic Mass:126.031694049
Topological Polar Surface Area:60.7
Heavy Atom Count:9
Complexity:94.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Quinone

Resorcinol

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Guide of 1,2,4-Benzenetriol

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
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