2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride

C17H20ClNO2

CAS55845-90-4
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
55845-90-4
EC Number
401-840-4
UN Number
3077
Index Number
606-040-00-0
PubChem CID
62319

Physical-chemical properties

Molecular Formula
C17H20ClNO2
Molar Mass
305.80 g/mol
IUPAC Name
2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C17H19NO2.ClH/c1-2-18(12-14-7-4-3-5-8-14)13-17(20)15-9-6-10-16(19)11-15;/h3-11,19H,2,12-13H2,1H3;1H
InChI Key
SKILLULCQGKLNZ-UHFFFAOYSA-N

Overview

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone hydrochloride (CAS 55845-90-4) is an organic aminoketone compound with hydrochloride salt formation and phenolic hydroxyl functionality. This specialized chemical compound represents a complex aminoketone derivative featuring a benzylethylamino substituent and a hydroxyphenyl moiety. With the molecular formula C17H20ClNO2 and a molecular weight of 305.8 g/mol, this hydrochloride salt demonstrates the structural sophistication typical of pharmaceutical intermediates and research compounds. The presence of both tertiary amine and phenolic hydroxyl groups provides unique reactivity patterns that distinguish it from simpler compounds like 4-cyclohexyl-2-methylbutan-2-ol, which lacks the aromatic and amino functionalities. The compound exhibits significant safety considerations, classified under GHS pictograms GHS05 and GHS09, indicating serious eye damage potential and environmental hazard properties. The "Danger" signal word reflects its Eye Dam. 1 classification, requiring stringent handling protocols including appropriate eye protection and ventilation systems. Additionally, its Aquatic Chronic 2 classification necessitates careful environmental management during storage and disposal. Transportation falls under ADR Class 9 (miscellaneous dangerous goods), requiring specialized logistics considerations. Primary industrial applications include pharmaceutical research and development, where its complex structure serves as a valuable synthetic intermediate. The compound finds use in medicinal chemistry programs and as a reference standard in analytical chemistry applications. Its unique aminoketone architecture makes it particularly valuable for structure-activity relationship studies. OYSI maintains this specialized chemical compound as part of our comprehensive technical chemical portfolio, ensuring reliable supply for European research and industrial customers with appropriate regulatory documentation and safety data sheets.

Safety & Classification

Danger
Classification:

Eye Dam. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H318

Causes serious eye damage.

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

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:

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 Name(N-Benzyl-N-ethyl)amino-3'-hydroxyacetophenon-hydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is an organic chemical compound with CAS number 55845-90-4 and molecular formula C17H20ClNO2. This substance has a molecular weight of 305.8 g/mol and belongs to the aminoketone family. It is classified as a hazardous substance with eye damaging properties and chronic aquatic toxicity, requiring careful handling and storage procedures in industrial applications.

What are the physicochemical properties of 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is a solid compound at room temperature with a molecular weight of 305.8 g/mol. As a hydrochloride salt, it typically exhibits good water solubility compared to its free base form. The compound contains aromatic rings, an amino group, and a ketone functionality, which influence its chemical reactivity and physical properties. Specific data on melting point, boiling point, and exact solubility parameters should be obtained from detailed technical datasheets.

What is 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride used for?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is primarily used as an intermediate in pharmaceutical synthesis and organic chemistry research. Its aminoketone structure makes it valuable for developing various chemical compounds and drug molecules. The compound may also serve as a building block in fine chemical manufacturing and specialized industrial applications. Due to its specific molecular structure, it is typically utilized by pharmaceutical companies, research institutions, and specialized chemical manufacturers.

How to handle 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride safely?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride requires careful handling due to its Eye Dam. 1 classification. Essential personal protective equipment includes chemical safety goggles or face shield, chemical-resistant gloves, and laboratory coat. Work in well-ventilated areas or under fume hood to prevent inhalation. Avoid direct contact with eyes, skin, and clothing. Use appropriate tools for handling to minimize exposure risk and always wash hands thoroughly after use.

How to store 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride properly?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled with hazard information. Store away from heat sources, direct sunlight, and moisture to maintain stability. Due to its hazardous classification, implement appropriate segregation from other chemicals and ensure storage areas comply with local safety regulations and have proper containment measures.

What to do in case of contact with 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

Eye contact with 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride requires immediate action due to its Eye Dam. 1 classification. Flush eyes immediately with plenty of water for at least 15 minutes and seek immediate medical attention. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air and seek medical advice if symptoms persist. Remove contaminated clothing and wash before reuse. Always consult safety data sheets for complete first aid procedures.

How to dispose of 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride appropriately?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride must be disposed of according to local and national hazardous waste regulations. Due to its Eye Dam. 1 and Aquatic Chronic 2 classifications, it cannot be disposed of through regular waste streams. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Ensure proper labeling of waste containers and maintain disposal records as required by environmental regulations.

How to transport 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. This classification requires appropriate packaging, labeling, and documentation for transport. Use UN-approved packaging suitable for Class 9 substances and ensure proper hazard labels are affixed. Transport documents must include correct shipping names, UN numbers, and hazard information. Only trained personnel should handle transportation procedures according to ADR regulations.

Is 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride subject to specific regulations?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is subject to REACH regulation in Europe and must comply with CLP classification requirements. It is not currently listed as an SVHC (Substance of Very High Concern). The substance requires safety data sheets, proper classification labeling with GHS05 and GHS09 pictograms, and the danger signal word. Companies must ensure registration compliance and follow notification requirements under applicable chemical legislation.

Where to buy 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride in Europe?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is available through OYSI, a specialized European distributor of chemical products. OYSI provides this substance to research institutions, pharmaceutical companies, and industrial customers across Europe. As a professional chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for availability, technical specifications, and regulatory documentation to meet your specific application requirements.

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2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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