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 safety considerations. This organic compound, with the molecular formula C18H18O3 and a molar mass of 282.3 g/mol, belongs to the family of benzoyl-substituted phenylpropanoates. The molecule features a distinctive structure combining a benzoyl group attached to a phenyl ring, which is further connected to a propanoate ester chain. This structural arrangement imparts specific chemical properties that make it valuable for various industrial processes. The compound presents considerable safety challenges, classified under multiple hazard categories including acute toxicity (Category 3), specific target organ toxicity following repeated exposure (Category 1), and skin sensitization (Category 1). The GHS classification requires danger pictograms GHS06, GHS08, and GHS09, emphasizing the need for stringent handling protocols. Transportation regulations classify it under ADR class 6.1, reflecting its toxic properties. Additionally, the compound poses environmental concerns with aquatic chronic toxicity (Category 2), necessitating careful disposal and containment measures. In industrial applications, ethyl 2-(3-benzoylphenyl)propanoate finds use primarily as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications. Its aromatic ester structure makes it particularly valuable in organic synthesis processes where selective functionalization is required. Unlike simpler compounds such as N-methylaniline, this complex ester offers unique reactivity patterns that are essential for specific synthetic pathways. The compound's handling requires expertise in working with toxic organic compounds, similar to the precautions needed for other hazardous aromatic substances like phenylhydrazine. OYSI maintains availability of this specialized chemical for qualified industrial customers requiring technical-grade materials.

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, connected to a propanoate ester chain. It is classified as a hazardous substance with acute toxicity, skin sensitization properties, and specific target organ toxicity after repeated exposure.

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. As a complex aromatic ester, it typically appears as a solid or viscous liquid at room temperature. The compound contains both hydrophobic aromatic rings and a polar ester group, affecting its solubility characteristics. Specific physical properties like melting point, boiling point, and exact appearance may vary depending on purity and storage conditions.

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

Ethyl 2-(3-benzoylphenyl)propanoate is primarily used as an intermediate in pharmaceutical synthesis and organic chemistry applications. Its structure, containing both benzoyl and ester functional groups, makes it valuable for creating more complex molecules in medicinal chemistry. The compound may serve as a building block in the synthesis of active pharmaceutical ingredients or as a research chemical in laboratory settings for developing new therapeutic compounds.

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 protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The substance can cause skin sensitization and has specific target organ toxicity, requiring strict adherence to safety protocols and proper training.

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 direct sunlight. Given its hazardous classification, storage areas must be restricted to authorized personnel only. The compound should be kept away from incompatible materials and stored according to local regulations for toxic substances. Regular inspection of containers for damage or leaks is essential to maintain safe storage conditions.

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 toxic and sensitizing properties. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical care. Always consult a poison control center or physician.

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, national, and EU regulations. The compound cannot be disposed of in regular waste streams due to its toxic properties and environmental impact (Aquatic Chronic 2). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Ensure compliance with REACH regulations and maintain proper documentation of disposal procedures. Never discharge into sewers, waterways, or soil.

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 transportation purposes. Transport requires appropriate UN specification packaging and proper labeling with GHS06, GHS08, and GHS09 pictograms. Vehicles must carry appropriate safety equipment and documentation. Drivers need ADR training for Class 6.1 materials. Emergency response information must be available during transport, and routes should avoid populated areas where possible.

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

Ethyl 2-(3-benzoylphenyl)propanoate is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. The compound is classified with multiple hazard classes requiring specific labeling and safety data sheets. While not currently listed as an SVHC substance, its toxic properties mean it falls under strict handling and reporting requirements. Users must comply with occupational exposure limits and environmental discharge restrictions under EU legislation.

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 full regulatory compliance, including proper CLP labeling and comprehensive safety documentation. As a professional chemical distributor, OYSI ensures quality standards and regulatory compliance for industrial and research applications throughout Europe. Contact OYSI directly for availability, specifications, and technical support for your specific requirements.

Data Sources

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