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 multiple methyl substituents and dual hydroxyl functionality. This aromatic compound, also known by its EC number 211-838-3, belongs to the dihydroxybenzene family and shares structural similarities with benzene-1,4-diol, featuring additional methyl groups at positions 2, 3, and 5 on the benzene ring. With a molecular formula of C9H12O2 and molecular weight of 152.19 g/mol, this substituted phenolic compound exhibits the characteristic properties of both phenols and hydroquinones, making it valuable in various industrial applications. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 4), skin and eye irritation, skin sensitization, and specific target organ toxicity. The presence of GHS07, GHS05, and GHS09 pictograms indicates its potential for causing serious health effects and environmental concerns. As a Class 9 ADR substance, special transport regulations apply when handling this material. From a chemical perspective, the methyl substitution pattern influences both the compound's reactivity and physical properties compared to simpler hydroquinone derivatives. The multiple substituents provide steric hindrance while maintaining the essential phenolic character necessary for its industrial utility. Primary applications include use as an intermediate in pharmaceutical synthesis, as an antioxidant in polymer formulations, and in the production of specialty chemicals where controlled oxidation-reduction properties are required. The compound's unique substitution pattern makes it particularly valuable in developing advanced materials and fine chemical synthesis. OYSI provides reliable access to 2,3,5-trimethylbenzene-1,4-diol for European industrial customers, ensuring consistent quality and regulatory compliance for demanding technical applications.

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 substance features a benzene ring substituted with three methyl groups and two hydroxyl groups, giving it its characteristic diol structure. With a molecular weight of 152.19 g/mol, it belongs to the family of substituted hydroquinones and exhibits both phenolic and aromatic properties.

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

2,3,5-trimethylbenzene-1,4-diol is typically a crystalline solid at room temperature with characteristic aromatic properties. As a substituted hydroquinone derivative, it exhibits moderate solubility in polar organic solvents and limited water solubility due to its aromatic nature combined with hydroxyl groups. The presence of three methyl substituents affects its melting point and volatility compared to unsubstituted hydroquinone, while the two hydroxyl groups contribute to its reactivity and hydrogen bonding capabilities.

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 hydroquinone structure makes it valuable in the production of antioxidants, pharmaceutical intermediates, and specialty chemicals. The compound may also serve as a building block for polymer additives, dyes, or other fine chemicals where its specific substitution pattern provides desired properties. Industrial applications typically focus on its role as a precursor for more complex molecules.

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

2,3,5-trimethylbenzene-1,4-diol requires careful handling due to its hazard classification including acute toxicity, skin and eye irritation, and sensitization potential. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction. Avoid direct skin and eye contact, and prevent inhalation of dust or vapors. Ensure proper training on emergency procedures and maintain good industrial hygiene practices.

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 direct sunlight and heat sources. Keep containers upright and properly labeled according to GHS requirements. Store away from incompatible materials such as strong oxidizing agents and bases. Ensure storage areas are equipped with appropriate spill containment measures and maintain temperatures within recommended ranges. Regular inspection of containers for integrity is essential to prevent leaks.

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

2,3,5-trimethylbenzene-1,4-diol exposure requires immediate action due to its irritating and sensitizing properties. For skin contact, immediately remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush with clean water for 15-20 minutes and remove contact lenses if easily removable. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially for eye exposure or if irritation persists.

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

2,3,5-trimethylbenzene-1,4-diol waste must be disposed of through licensed hazardous waste management facilities in compliance with local and European waste regulations. The substance cannot be disposed of via normal industrial waste streams due to its hazard profile and environmental toxicity classification. Contaminated materials, containers, and PPE require similar treatment. Maintain detailed waste documentation and use approved waste codes. Consider waste minimization strategies and potential recovery options where technically and economically feasible.

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

2,3,5-trimethylbenzene-1,4-diol is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Shipments must include proper shipping names, UN numbers, and hazard labels. Transport vehicles need appropriate placarding, and drivers require ADR certification. Packaging must meet UN specification standards and withstand transport conditions while preventing leakage.

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

2,3,5-trimethylbenzene-1,4-diol is subject to European REACH regulation requiring registration for manufacture or import above one tonne annually. The substance must be classified and labeled according to CLP regulation with appropriate hazard statements and precautionary measures. While not currently listed as an SVHC, its environmental hazard classification may trigger additional reporting requirements. National restrictions may apply in specific applications, and occupational exposure limits should be verified with local authorities.

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 customers across the region. OYSI provides compliant sourcing with full documentation including safety data sheets, certificates of analysis, and regulatory compliance information. Professional customers can access this specialty chemical through OYSI's distribution network, ensuring proper handling, packaging, and delivery according to dangerous goods regulations while meeting quality and regulatory requirements.

Data Sources

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