(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 phenolic compound with multiple acetyl functional groups and specialized industrial applications. This chemical compound, also known by its IUPAC designation (5-acetyl-2-acetyloxyphenyl)methyl acetate, represents a complex organic molecule featuring a phenolic backbone with three distinct acetyl substituents. With the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol, this substance exhibits unique chemical properties that make it valuable for specific industrial processes. The compound's structure incorporates both aromatic and aliphatic acetyl functionalities, contributing to its versatility in chemical synthesis and industrial applications. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. The compound presents acute toxicity concerns (Acute Tox. 4), potential for specific target organ toxicity following repeated exposure (STOT RE 2), and causes serious eye damage (Eye Dam. 1). Additionally, it may cause skin sensitization reactions and poses significant environmental risks to aquatic ecosystems, both acute and chronic. The presence of GHS pictograms including GHS07, GHS08, GHS05, and GHS09 emphasizes the need for appropriate personal protective equipment and containment measures during handling. Industrial applications of (5-acetyl-2-acetyloxyphenyl)methyl acetate typically include its use as a chemical intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and as a reagent in organic synthesis processes. Its acetyl groups make it particularly useful in acetylation reactions and as a building block for more complex molecular structures. While structurally different from compounds like benzene-1,4-diol, it shares certain synthetic utility in industrial chemistry applications. OYSI maintains this specialized chemical compound in its comprehensive portfolio of technical chemicals, ensuring reliable supply for European industrial customers requiring high-quality chemical intermediates.

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 acetate ester family. It is classified as a hazardous substance under CLP regulation with multiple danger classes 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 likely exhibits limited water solubility but good solubility in organic solvents. The compound contains multiple acetyl groups which influence its chemical reactivity and physical properties. Specific data regarding color, odor, melting point, and exact solubility parameters should be obtained from the technical datasheet for precise applications.

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

(5-acetyl-2-acetyloxyphenyl)methyl acetate is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its acetate ester structure makes it valuable for organic synthesis reactions, particularly in the development of pharmaceutical compounds and specialty chemicals. The compound may also serve as a building block in the production of more complex molecules. Due to its hazardous classification, it is restricted to professional and industrial applications requiring appropriate safety measures and expertise.

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

(5-acetyl-2-acetyloxyphenyl)methyl acetate requires strict safety precautions due to its Danger classification. Personnel must wear appropriate PPE including safety goggles, chemical-resistant gloves, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. Given its skin sensitization properties and eye damage potential, immediate access to eyewash stations and emergency showers is essential. Only trained personnel should handle this substance.

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

(5-acetyl-2-acetyloxyphenyl)methyl acetate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The container should be kept tightly closed to prevent contamination and degradation. Storage areas should be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Access should be restricted to authorized personnel only, and the storage location must comply with local regulations for hazardous substances. Regular inspection of containers for integrity is recommended.

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

(5-acetyl-2-acetyloxyphenyl)methyl acetate contact requires immediate emergency response due to its eye damage and skin sensitization properties. For eye contact, flush immediately with copious amounts of water for at least 15 minutes and seek immediate medical attention. In case of 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 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 as hazardous waste through licensed waste management facilities due to its multiple hazard classifications. The substance cannot be discharged to sewers or the environment given its aquatic toxicity rating. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Containers should be completely emptied and may require special treatment. Always consult with certified waste disposal companies and relevant authorities for proper disposal procedures.

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. This classification requires specific packaging, labeling, and documentation according to ADR regulations. Transport vehicles must carry appropriate emergency equipment and drivers need ADR certification. The substance must be properly packaged in UN-approved containers with correct hazard labels and transport documents. Shipping must comply with all applicable dangerous goods regulations for road, rail, sea, and air transport.

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

(5-acetyl-2-acetyloxyphenyl)methyl acetate is subject to EU CLP regulation requiring hazard classification and labeling with GHS pictograms GHS05, GHS07, GHS08, and GHS09. Under REACH regulation, it requires registration for manufacture or import above certain tonnages. The substance is not currently identified as SVHC (Substance of Very High Concern). Users must comply with occupational health and safety regulations, and environmental protection laws. Additional restrictions may apply depending on specific uses and national implementations of EU chemical legislation.

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

(5-acetyl-2-acetyloxyphenyl)methyl acetate is available through OYSI, a European distributor of technical chemicals serving professional and industrial customers. OYSI provides this substance with complete regulatory documentation including safety data sheets and certificates of analysis. As a specialized chemical distributor, OYSI ensures compliance with all applicable European regulations and provides technical support for safe handling and application. Contact OYSI directly for availability, specifications, and pricing information for your specific requirements.

Data Sources

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