Ethyl 2-(3-benzoylphenyl)propanoate

C18H18O3

ethyl 2-(3-benzoylphenyl)propanoate

CAS60658-04-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
60658-04-0
EC Number
414-920-9
UN Number
2810
Index Number
607-534-00-9
PubChem CID
9878873

Physical-chemical properties

Molecular Formula
C18H18O3
Molar Mass
282.30 g/mol
IUPAC Name
ethyl 2-(3-benzoylphenyl)propanoate

Chemical Identifiers

InChI
InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChI Key
CQSMNXCTDMLMLM-UHFFFAOYSA-N

Overview

Ethyl 2-(3-benzoylphenyl)propanoate (CAS 60658-04-0) is an aromatic ester compound with significant industrial applications and notable toxicological properties. This specialized chemical substance, with the molecular formula C18H18O3 and a molecular weight of 282.3 g/mol, represents a complex organic ester featuring both benzoyl and phenyl aromatic groups. The compound is classified under EC number 414-920-9 and belongs to the category of substituted propanoate esters with enhanced aromatic functionality. The substance presents considerable safety concerns, classified with multiple hazard categories including Acute Toxicity Category 3, Specific Target Organ Toxicity Repeated Exposure Category 1, and Skin Sensitization Category 1. These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial processes. The compound also exhibits Aquatic Chronic Toxicity Category 2, indicating potential environmental impact requiring proper waste management procedures. Due to its complex aromatic structure, ethyl 2-(3-benzoylphenyl)propanoate finds applications in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications requiring specific ester functionalities. The compound's unique structural features make it valuable in organic synthesis pathways where both ester reactivity and aromatic substitution patterns are required. Unlike simpler aromatic compounds such as N-methylaniline, this ester offers enhanced synthetic versatility through its dual functional group arrangement. The substance requires ADR Class 6.1 transportation protocols due to its toxicological profile, with GHS pictograms including GHS06 (skull and crossbones), GHS08 (health hazard), and GHS09 (environmental hazard) reflecting its comprehensive risk profile. OYSI maintains reliable supply chains for ethyl 2-(3-benzoylphenyl)propanoate to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; STOT RE 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

H411

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

Toxic

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 Number2810
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameEthyl-2-(3-benzoylphenyl)propanoat
Marine PollutantNo

Frequently Asked Questions

What is ethyl 2-(3-benzoylphenyl)propanoate?

Ethyl 2-(3-benzoylphenyl)propanoate is an organic chemical compound with the molecular formula C18H18O3 and CAS number 60658-04-0. This ester compound has a molecular weight of 282.3 g/mol and features a benzoyl group attached to a phenyl ring, which is further connected to a propanoate ester chain. It is classified as a hazardous substance with significant toxicity concerns, requiring careful handling and safety precautions in industrial applications.

What are the physicochemical properties of ethyl 2-(3-benzoylphenyl)propanoate?

Ethyl 2-(3-benzoylphenyl)propanoate is an organic ester with molecular formula C18H18O3 and molecular weight 282.3 g/mol. The compound typically appears as a liquid or solid depending on temperature conditions. Its chemical structure includes aromatic rings and ester functionality, which influences its solubility characteristics in organic solvents. The presence of the benzoyl and phenyl groups contributes to its chemical stability and reactivity profile in various chemical environments.

What is ethyl 2-(3-benzoylphenyl)propanoate used for?

Ethyl 2-(3-benzoylphenyl)propanoate is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. The compound serves as a building block in the production of active pharmaceutical ingredients (APIs) and specialty chemicals. Its unique chemical structure makes it valuable in organic synthesis processes, particularly in the development of compounds requiring benzoyl and phenylpropanoate functionalities. Industrial applications include use in research and development laboratories for chemical synthesis projects.

How to handle ethyl 2-(3-benzoylphenyl)propanoate safely?

Ethyl 2-(3-benzoylphenyl)propanoate requires careful handling due to its Acute Tox. 3, STOT RE 1, and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, and prevent inhalation of vapors. The compound can cause skin sensitization and has potential for repeated exposure organ toxicity, necessitating strict safety protocols.

How to store ethyl 2-(3-benzoylphenyl)propanoate correctly?

Ethyl 2-(3-benzoylphenyl)propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Given its toxicity classification (Acute Tox. 3), storage areas must be secure and accessible only to authorized personnel. Keep containers upright and properly labeled with hazard information. Storage facilities should include appropriate spill containment measures and emergency response equipment due to the compound's hazardous nature and environmental concerns.

What to do in case of contact with ethyl 2-(3-benzoylphenyl)propanoate?

Immediate action is required upon contact with ethyl 2-(3-benzoylphenyl)propanoate due to its acute toxicity and sensitizing properties. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water and seek medical attention. If inhaled, move to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical care. Always consult safety data sheets for specific emergency procedures.

How to dispose of ethyl 2-(3-benzoylphenyl)propanoate properly?

Ethyl 2-(3-benzoylphenyl)propanoate must be disposed of as hazardous waste according to local and European regulations due to its toxicity and environmental impact classifications. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of this substance through regular waste streams or pour down drains. Waste containers should be properly labeled and stored securely until collection. Disposal methods must comply with ADR transport regulations and environmental protection standards.

How to transport ethyl 2-(3-benzoylphenyl)propanoate?

Ethyl 2-(3-benzoylphenyl)propanoate is classified under ADR Class 6.1 (toxic substances), Packing Group III for transport purposes. Shipments must comply with dangerous goods regulations, including proper packaging, labeling with GHS06, GHS08, and GHS09 pictograms, and appropriate shipping documentation. Transport vehicles require placarding and drivers need hazardous materials certification. Packaging must meet UN specification requirements for Class 6.1 substances, and emergency response information must accompany shipments.

Is ethyl 2-(3-benzoylphenyl)propanoate subject to specific regulations?

Ethyl 2-(3-benzoylphenyl)propanoate is subject to European REACH and CLP regulations due to its hazardous classification. The compound requires safety data sheets compliant with CLP regulation, featuring Danger signal word and specific hazard pictograms (GHS06, GHS08, GHS09). While not currently listed as SVHC, its Acute Tox. 3, STOT RE 1, and Skin Sens. 1 classifications require strict compliance with occupational health and safety regulations across EU member states.

Where to buy ethyl 2-(3-benzoylphenyl)propanoate in Europe?

Ethyl 2-(3-benzoylphenyl)propanoate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with complete regulatory documentation, safety data sheets, and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with European regulations and offers technical support for safe handling and application. Contact OYSI directly for availability, specifications, and ordering information for your specific requirements.

Data Sources

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