2,3,5-trimethylbenzene-1,4-diol

C9H12O2

CAS700-13-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
700-13-0
EC Number
211-838-3
UN Number
3077
Index Number
604-045-00-2
PubChem CID
12785

Physical-chemical properties

Molecular Formula
C9H12O2
Molar Mass
152.19 g/mol
IUPAC Name
2,3,5-trimethylbenzene-1,4-diol

Chemical Identifiers

InChI
InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
InChI Key
AUFZRCJENRSRLY-UHFFFAOYSA-N

Overview

2,3,5-trimethylbenzene-1,4-diol (CAS 700-13-0) is a substituted hydroquinone derivative with phenolic properties and antioxidant characteristics. This aromatic compound represents a specialized member of the dihydroxybenzene family, featuring three methyl substituents on positions 2, 3, and 5 of the benzene ring, along with hydroxyl groups at positions 1 and 4. With its molecular formula C9H12O2 and molecular weight of 152.19 g/mol, this trimethylated hydroquinone exhibits distinct chemical behavior compared to simpler phenolic compounds like benzene-1,4-diol. The strategic positioning of methyl groups significantly influences its reactivity, solubility profile, and biological activity. The compound presents notable safety considerations, classified under multiple hazard categories including acute toxicity (Category 4), skin irritation, eye damage, and skin sensitization. Its aquatic toxicity profile requires careful environmental handling protocols. The GHS classification with pictograms GHS07, GHS05, and GHS09 emphasizes the need for appropriate personal protective equipment and containment measures during industrial handling. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, where its phenolic structure serves as a building block for more complex therapeutic molecules. The compound also finds application in specialty polymer manufacturing and as a stabilizing agent in certain chemical formulations. Its antioxidant properties make it valuable in materials science applications where oxidative stability is crucial. Unlike structurally simpler compounds such as benzene-1,4-diol, the trimethyl substitution pattern provides enhanced selectivity in synthetic applications, making it particularly useful in fine chemical manufacturing processes. OYSI maintains reliable supply chains for 2,3,5-trimethylbenzene-1,4-diol to support European industrial customers requiring this specialized phenolic intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; STOT SE 3; Skin Irrit. 2; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chro...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H335

May cause respiratory irritation.

H315

Causes skin irritation.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Harmful

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2,3,5-Trimethylhydrochinon
Marine PollutantNo

Frequently Asked Questions

What is 2,3,5-trimethylbenzene-1,4-diol?

2,3,5-trimethylbenzene-1,4-diol is an aromatic organic compound with the molecular formula C9H12O2 and CAS number 700-13-0. This chemical belongs to the phenolic compound family, featuring a benzene ring substituted with three methyl groups and two hydroxyl groups in specific positions. With a molecular weight of 152.19 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicological and environmental properties.

What are the physicochemical properties of 2,3,5-trimethylbenzene-1,4-diol?

2,3,5-trimethylbenzene-1,4-diol is a solid aromatic compound at room temperature with characteristic phenolic properties. As a substituted hydroquinone derivative, it contains both hydrophilic hydroxyl groups and lipophilic methyl substituents, affecting its solubility profile. The compound's physical state, color, and exact solubility parameters depend on purity and environmental conditions. Its aromatic structure contributes to its chemical stability and reactivity patterns typical of phenolic compounds.

What is 2,3,5-trimethylbenzene-1,4-diol used for?

2,3,5-trimethylbenzene-1,4-diol is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its phenolic structure makes it valuable for producing polymers, antioxidants, and other specialty chemicals. The compound may serve as a building block in pharmaceutical synthesis, dye manufacturing, or as a precursor for more complex aromatic compounds. Its specific applications depend on the reactivity of its hydroxyl and methyl functional groups in various chemical reactions.

How to handle 2,3,5-trimethylbenzene-1,4-diol safely?

2,3,5-trimethylbenzene-1,4-diol requires careful handling due to its classification as Acute Tox. 4, Skin Irrit. 2, Eye Dam. 1, and Skin Sens. 1. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and ensure emergency eyewash stations and safety showers are readily accessible during handling operations.

How to store 2,3,5-trimethylbenzene-1,4-diol correctly?

2,3,5-trimethylbenzene-1,4-diol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Given its phenolic nature, protect from light and oxidizing agents that could cause degradation. Store separately from strong acids, bases, and oxidizers to prevent dangerous reactions. Maintain proper labeling with hazard information and ensure storage areas comply with local chemical storage regulations for Class 9 dangerous goods.

What to do in case of contact with 2,3,5-trimethylbenzene-1,4-diol?

2,3,5-trimethylbenzene-1,4-diol contact requires immediate action due to its eye damage and skin irritation potential. For eye contact, flush immediately with plenty of water for at least 15 minutes and seek medical attention immediately. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move to fresh air and seek medical advice if symptoms persist. Always consult safety data sheets and contact emergency services for severe exposures.

How to dispose of 2,3,5-trimethylbenzene-1,4-diol properly?

2,3,5-trimethylbenzene-1,4-diol disposal must comply with local and European waste regulations due to its hazardous classification and aquatic toxicity. The substance cannot be disposed of in regular waste streams and requires treatment as hazardous chemical waste. Contact licensed waste disposal companies specializing in organic chemical waste for proper disposal methods such as incineration or other approved treatment processes. Never discharge into sewers, waterways, or soil due to its environmental hazard classification.

How to transport 2,3,5-trimethylbenzene-1,4-diol?

2,3,5-trimethylbenzene-1,4-diol is classified as ADR Class 9 (miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling with GHS pictograms (GHS07, GHS05, GHS09), and documentation according to dangerous goods regulations. Transport vehicles must comply with ADR requirements for Class 9 substances. Proper shipping papers and emergency response information must accompany shipments to ensure safe transportation and regulatory compliance.

Is 2,3,5-trimethylbenzene-1,4-diol subject to specific regulations?

2,3,5-trimethylbenzene-1,4-diol is subject to European REACH and CLP regulations governing chemical registration, classification, and labeling. The substance requires classification with Danger signal word and specific hazard pictograms (GHS07, GHS05, GHS09). While not currently listed as an SVHC substance, its acute toxicity and environmental hazard properties subject it to standard chemical safety requirements including safety data sheet provisions and workplace exposure controls under occupational health regulations.

Where to buy 2,3,5-trimethylbenzene-1,4-diol in Europe?

2,3,5-trimethylbenzene-1,4-diol is available through OYSI, a specialized European distributor of technical chemicals serving industrial and professional customers. OYSI provides this compound with proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. As a professional chemical distributor, OYSI ensures product quality, proper packaging, and adherence to transportation regulations for hazardous materials throughout Europe. Contact OYSI directly for availability, specifications, and technical support.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.