Propyl 3,4,5-trihydroxybenzoate

C10H12O5

propyl 3,4,5-trihydroxybenzoate

CAS121-79-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
121-79-9
EC Number
204-498-2
UN Number
3077
Index Number
607-198-00-3
PubChem CID
4947

Physical-chemical properties

Molecular Formula
C10H12O5
Molar Mass
212.20 g/mol
IUPAC Name
propyl 3,4,5-trihydroxybenzoate

Chemical Identifiers

InChI
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
InChI Key
ZTHYODDOHIVTJV-UHFFFAOYSA-N

Overview

Propyl 3,4,5-trihydroxybenzoate (CAS 121-79-9) is a phenolic ester compound with antioxidant and antimicrobial properties. This organic compound, also known by its IUPAC designation propyl 3,4,5-trihydroxybenzoate, represents an important class of phenolic esters widely utilized in industrial applications. With the molecular formula C10H12O5 and a molecular weight of 212.2 g/mol, this substance exhibits distinctive chemical characteristics that make it valuable across multiple sectors. The compound features a trihydroxybenzoate structure, where three hydroxyl groups are positioned on the benzene ring, contributing to its notable antioxidant capacity. From a safety perspective, propyl 3,4,5-trihydroxybenzoate is classified under several hazard categories including Acute Toxicity Category 4 and Skin Sensitization Category 1, requiring appropriate handling precautions. The substance displays aquatic toxicity properties (Aquatic Acute 1 and Aquatic Chronic 1), necessitating careful environmental management. Safety protocols mandate the use of GHS07 and GHS09 pictogrammes, with "Warning" as the signal word. Transportation falls under ADR Class 9, indicating miscellaneous dangerous goods classification. Industrial applications primarily focus on its antioxidant properties in polymer stabilization, food preservation systems, and specialty chemical formulations. The compound serves as an effective radical scavenger in various manufacturing processes, often utilized alongside other specialized chemicals such as triphenyl phosphite in polymer applications. Additionally, it finds use in cosmetic formulations where its antimicrobial characteristics provide preservation benefits. OYSI maintains reliable supply chains for propyl 3,4,5-trihydroxybenzoate, supporting European industrial customers with consistent quality and technical expertise for their specialized chemical requirements.

Safety & Classification

Warning
Classification:

Acute Tox. 4; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

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:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 NamePropyl-3,4,5-trihydroxybenzoat
Marine PollutantNo

Frequently Asked Questions

What is propyl 3,4,5-trihydroxybenzoate?

Propyl 3,4,5-trihydroxybenzoate is an organic chemical compound with the molecular formula C10H12O5 and CAS number 121-79-9. This substance belongs to the family of hydroxybenzoate esters, featuring three hydroxyl groups on the benzene ring. With a molecular weight of 212.2 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicity and environmental impact potential.

What are the physicochemical properties of propyl 3,4,5-trihydroxybenzoate?

Propyl 3,4,5-trihydroxybenzoate is typically a white to off-white crystalline solid at room temperature. The compound exhibits moderate solubility in organic solvents and limited water solubility due to its ester structure. Its molecular weight of 212.2 g/mol and the presence of multiple hydroxyl groups influence its physical properties, including melting point and stability under various conditions.

What is propyl 3,4,5-trihydroxybenzoate used for?

Propyl 3,4,5-trihydroxybenzoate is primarily used as an antioxidant and preservative in various industrial applications. It serves as a stabilizing agent in food processing, cosmetics, and pharmaceutical formulations to prevent oxidative degradation. The compound's ability to chelate metal ions and scavenge free radicals makes it valuable in extending product shelf life and maintaining quality in various manufacturing processes.

How to handle propyl 3,4,5-trihydroxybenzoate safely?

Propyl 3,4,5-trihydroxybenzoate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Wear appropriate personal protective equipment including nitrile gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid skin contact or inhalation. Use proper engineering controls and follow established safety protocols. The GHS07 pictogram indicates health hazards requiring standard precautionary measures during handling operations.

How to store propyl 3,4,5-trihydroxybenzoate correctly?

Propyl 3,4,5-trihydroxybenzoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers away from incompatible materials and ensure proper labeling with hazard information. Storage areas must be equipped with appropriate spill containment measures due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Maintain inventory rotation using first-in-first-out principles.

What to do in case of contact with propyl 3,4,5-trihydroxybenzoate?

In case of skin contact with propyl 3,4,5-trihydroxybenzoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Due to its skin sensitization potential, seek medical attention if irritation persists or allergic reactions develop.

How to dispose of propyl 3,4,5-trihydroxybenzoate appropriately?

Propyl 3,4,5-trihydroxybenzoate must be disposed of through licensed hazardous waste disposal facilities due to its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1. Never discharge into drains, soil, or waterways. Collect waste in appropriate containers, properly labeled with hazard information. Follow local and national regulations for hazardous waste management, including proper documentation and tracking requirements for disposal processes.

How to transport propyl 3,4,5-trihydroxybenzoate?

Propyl 3,4,5-trihydroxybenzoate is classified as ADR Class 9, Packing Group III for transportation purposes. This classification indicates it's a miscellaneous dangerous substance requiring specific packaging, labeling, and documentation during transport. Use UN-approved packaging appropriate for the substance quantity and ensure proper hazard labels are affixed. Transport documentation must include proper shipping names, UN numbers, and emergency response information according to international dangerous goods regulations.

Is propyl 3,4,5-trihydroxybenzoate subject to specific regulations?

Propyl 3,4,5-trihydroxybenzoate is subject to European REACH regulation requiring registration for manufacture or import above specified tonnages. It's classified under CLP regulation with specific hazard classes including Acute Tox. 4, Skin Sens. 1, and aquatic toxicity classifications. While not currently listed as SVHC, it requires compliance with standard chemical safety regulations, proper safety data sheets, and workplace exposure controls according to occupational health directives.

Where to buy propyl 3,4,5-trihydroxybenzoate in Europe?

Propyl 3,4,5-trihydroxybenzoate is available through OYSI, a specialized European distributor of technical chemicals. As an established chemical supplier, OYSI provides this substance with proper documentation, safety data sheets, and regulatory compliance support. European customers can contact OYSI for availability, technical specifications, and pricing information while ensuring full regulatory compliance for their specific applications and requirements.

Data Sources

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