(5-acetyl-2-acetyloxyphenyl)methyl acetate

C13H14O5

CAS24085-06-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
24085-06-1
EC Number
425-160-2
UN Number
3077
Index Number
607-556-00-9
PubChem CID
154871

Physical-chemical properties

Molecular Formula
C13H14O5
Molar Mass
250.25 g/mol
IUPAC Name
(5-acetyl-2-acetyloxyphenyl)methyl acetate

Chemical Identifiers

InChI
InChI=1S/C13H14O5/c1-8(14)11-4-5-13(18-10(3)16)12(6-11)7-17-9(2)15/h4-6H,7H2,1-3H3
InChI Key
FMKMEWWKBLDKST-UHFFFAOYSA-N

Overview

(5-acetyl-2-acetyloxyphenyl)methyl acetate (CAS 24085-06-1) is an acetylated aromatic compound with multiple ester functional groups and significant industrial applications. This specialized chemical compound, also known by its IUPAC designation (5-acetyl-2-acetyloxyphenyl)methyl acetate, represents a complex multi-functional molecule featuring both acetyl and acetyloxy substituents on an aromatic benzene ring system. With the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol, this substance demonstrates the sophisticated chemistry typical of acetylated phenolic derivatives. The compound's structure incorporates multiple acetate ester linkages, which contribute to its unique reactivity profile and industrial utility. From a safety perspective, this chemical requires careful handling protocols due to its classification under several hazard categories. The substance carries acute toxicity warnings (Acute Tox. 4), potential for specific target organ toxicity following repeated exposure (STOT RE 2), and can cause serious eye damage (Eye Dam. 1) while also presenting skin sensitization risks (Skin Sens. 1). Additionally, it poses environmental concerns with both acute and chronic aquatic toxicity classifications, necessitating proper containment and disposal procedures. The associated GHS pictograms (GHS07, GHS08, GHS05, GHS09) and "Danger" signal word reflect these comprehensive safety considerations. Industrial applications for (5-acetyl-2-acetyloxyphenyl)methyl acetate typically include pharmaceutical intermediate synthesis, specialty chemical manufacturing, and advanced materials development. Its multi-functional structure makes it valuable in organic synthesis pathways, particularly those requiring selective acetylation reactions. While structurally distinct from related compounds like benzene-1,4-diol, it shares certain reactivity patterns with other acetylated aromatic systems. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical grade materials.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; STOT RE 2 *; Eye Dam. 1; 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.

H373

May cause damage to organs through prolonged or repeated exposure.

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

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:

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 Name2-Acetoxymethylen-4-acetylphenylacetat, fest
Marine PollutantNo

Frequently Asked Questions

What is (5-acetyl-2-acetyloxyphenyl)methyl acetate?

(5-acetyl-2-acetyloxyphenyl)methyl acetate is an organic chemical compound with the molecular formula C13H14O5 and CAS number 24085-06-1. This substance has a molecular weight of 250.25 g/mol and belongs to the class of acetate esters. It is classified as a hazardous substance under GHS regulations with multiple danger classifications including acute toxicity, eye damage, skin sensitization, and aquatic toxicity. The compound requires careful handling due to its significant health and environmental hazards.

What are the physicochemical properties of (5-acetyl-2-acetyloxyphenyl)methyl acetate?

(5-acetyl-2-acetyloxyphenyl)methyl acetate is a solid organic compound at room temperature with a molecular weight of 250.25 g/mol. As an acetate ester derivative, it typically exhibits limited water solubility but good solubility in organic solvents. The compound contains multiple acetyl functional groups which influence its chemical reactivity and physical properties. Specific parameters like melting point, boiling point, and exact solubility data should be verified through technical documentation or safety data sheets.

What is (5-acetyl-2-acetyloxyphenyl)methyl acetate used for?

(5-acetyl-2-acetyloxyphenyl)methyl acetate serves as an intermediate in pharmaceutical synthesis and organic chemistry applications. Due to its acetate ester structure, it is commonly used in the production of active pharmaceutical ingredients and fine chemicals. The compound may also find applications in research and development for medicinal chemistry projects. Its specific use depends on the target molecules being synthesized, as it provides reactive acetyl groups for further chemical transformations in controlled industrial processes.

How to handle (5-acetyl-2-acetyloxyphenyl)methyl acetate safely?

(5-acetyl-2-acetyloxyphenyl)methyl acetate requires strict safety measures including wearing chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods due to potential inhalation hazards. Given its Acute Tox. 4, Eye Dam. 1, and Skin Sens. 1 classifications, avoid direct skin and eye contact. Use appropriate respiratory protection when airborne exposure is possible, and ensure emergency eyewash and shower facilities are readily accessible in work areas.

How to store (5-acetyl-2-acetyloxyphenyl)methyl acetate correctly?

(5-acetyl-2-acetyloxyphenyl)methyl acetate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled with hazard information. Storage areas must be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Ensure storage complies with local regulations for hazardous substances and maintain inventory records. Segregate from oxidizing agents and other incompatible chemicals to prevent dangerous reactions.

What to do in case of contact with (5-acetyl-2-acetyloxyphenyl)methyl acetate?

Immediate action is required upon contact with (5-acetyl-2-acetyloxyphenyl)methyl acetate due to its Eye Dam. 1 and Skin Sens. 1 classifications. 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 immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.

How to dispose of (5-acetyl-2-acetyloxyphenyl)methyl acetate appropriately?

(5-acetyl-2-acetyloxyphenyl)methyl acetate must be disposed of through licensed hazardous waste disposal services due to its environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). Never discharge into drains, waterways, or soil. Collect waste in appropriate containers and label clearly. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Small laboratory quantities may require special collection procedures, while industrial quantities need specialized hazardous waste contractors for proper treatment and disposal.

How to transport (5-acetyl-2-acetyloxyphenyl)methyl acetate?

(5-acetyl-2-acetyloxyphenyl)methyl acetate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. Transport requires appropriate UN-specification packaging and proper dangerous goods documentation. Vehicles must carry appropriate placards and emergency response information. Drivers need ADR certification for dangerous goods transport. Shipments must comply with packaging instructions for Class 9 substances and include proper shipping names, hazard labels, and emergency contact information on transport documents.

Is (5-acetyl-2-acetyloxyphenyl)methyl acetate subject to specific regulations?

(5-acetyl-2-acetyloxyphenyl)methyl acetate is subject to EU CLP regulation for classification, labeling, and packaging of hazardous substances. It falls under REACH regulation requirements for registration, evaluation, and authorization of chemicals. The substance is not currently listed as a Substance of Very High Concern (SVHC). Companies must ensure proper safety data sheets, hazard communication, and worker protection measures. Transport is regulated under ADR for dangerous goods, and disposal must comply with waste legislation including proper hazardous waste classification and handling.

Where to buy (5-acetyl-2-acetyloxyphenyl)methyl acetate in Europe?

(5-acetyl-2-acetyloxyphenyl)methyl acetate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to industrial customers, research institutions, and pharmaceutical companies across Europe. As a regulated hazardous substance, purchases require proper documentation and compliance with chemical regulations. OYSI ensures appropriate packaging, labeling, and documentation for safe transport. Contact OYSI directly for availability, specifications, and regulatory compliance documentation required for your specific application and location.

Data Sources

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