3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

C26H29NO2

CAS82413-20-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
82413-20-5
EC Number
428-010-4
UN Number
3077
Index Number
604-073-00-5
PubChem CID
3033767

Physical-chemical properties

Molecular Formula
C26H29NO2
Molar Mass
387.50 g/mol
IUPAC Name
3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

Chemical Identifiers

InChI
InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+
InChI Key
ZQZFYGIXNQKOAV-OCEACIFDSA-N

Overview

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CAS 82413-20-5) is a complex organic compound with significant regulatory restrictions due to its hazardous properties. This synthetic organic molecule, with molecular formula C26H29NO2 and molecular weight 387.5 g/mol, represents a sophisticated chemical structure featuring multiple aromatic rings, an ether linkage, and a tertiary amine functional group. The compound is classified under EC number 428-010-4 and falls within ADR Class 9 for transportation purposes, indicating it requires special handling as a miscellaneous dangerous substance. The chemical exhibits multiple hazard classifications that demand careful consideration in industrial applications. As a Category 2 carcinogen and Category 1B reproductive toxicant, it poses serious health risks requiring stringent safety protocols. Additionally, its classification as a skin sensitizer (Skin Sens. 1) necessitates appropriate personal protective equipment during handling. Environmental concerns are equally significant, with acute and chronic aquatic toxicity classifications (Aquatic Acute 1; Aquatic Chronic 1) requiring careful waste management and containment measures. The compound's complex aromatic structure shares certain characteristics with other industrial chemicals such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, though their applications and safety profiles differ significantly. Industrial applications typically involve specialized chemical synthesis processes, pharmaceutical intermediates, and research applications where its unique molecular structure provides specific functional properties. Due to its hazardous nature, this compound finds primary use in controlled industrial environments with appropriate safety infrastructure and regulatory compliance capabilities. OYSI maintains availability of this specialized chemical for qualified industrial customers with proper handling capabilities and regulatory authorization.

Safety & Classification

Danger
Classification:

Carc. 2; Repr. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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:

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 NameDroloxifen
Marine PollutantNo

Frequently Asked Questions

What is 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is a complex organic compound with the molecular formula C26H29NO2 and a molecular weight of 387.5 g/mol. This substance is classified under CAS number 82413-20-5 and belongs to the phenol family with dimethylamino and ethoxy functional groups. It presents significant health and environmental hazards, being classified as a suspected carcinogen, reproductive toxicant, and skin sensitizer with high aquatic toxicity.

What are the physicochemical properties of 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is an organic solid with a molecular weight of 387.5 g/mol and the formula C26H29NO2. As a phenolic compound with multiple aromatic rings and polar functional groups, it likely exhibits limited water solubility but good solubility in organic solvents. The presence of dimethylamino and phenolic groups suggests it may have basic and acidic properties respectively, making it amphoteric in nature.

What is 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol used for?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is primarily used in pharmaceutical research and development, particularly in hormonal studies due to its structural similarity to selective estrogen receptor modulators. Its complex aromatic structure with dimethylamino and phenolic groups makes it valuable for medicinal chemistry applications. However, due to its carcinogenic and reproductive toxicity classifications, its use is restricted to specialized research applications with appropriate safety controls and regulatory oversight.

How to handle 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol safely?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol requires strict safety protocols due to its carcinogenic and reproductive toxicity. Essential personal protective equipment includes nitrile gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid skin contact and inhalation, as the substance is a skin sensitizer. Work in designated areas with appropriate engineering controls, and ensure all personnel are trained in hazardous material handling procedures before use.

How to store 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol correctly?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Due to its hazardous classification, store in designated areas with restricted access and appropriate warning signs. Keep away from incompatible materials such as strong oxidizing agents and bases. Maintain storage areas with secondary containment systems to prevent environmental release, and ensure regular inventory and condition checks.

What to do in case of contact with 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?

In case of skin contact with 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to the substance's carcinogenic and sensitizing properties, seek immediate medical attention in all cases of exposure and inform medical personnel of the specific chemical involved.

How to dispose of 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol appropriately?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol must be disposed of as hazardous waste through licensed waste management companies specializing in pharmaceutical and toxic chemicals. Due to its carcinogenic properties and environmental toxicity, it cannot be disposed of in regular waste streams or sewage systems. Collect waste in appropriate containers, label clearly with contents and hazard information, and maintain disposal records. Follow all local, national, and EU regulations regarding hazardous waste disposal.

How to transport 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling with GHS pictograms (GHS07, GHS08, GHS09), and transport documentation including safety data sheets. Packages must be properly secured, marked with the correct shipping name, and handled by trained personnel. Ensure compliance with all ADR regulations for road transport within Europe.

Is 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol subject to particular regulations?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is subject to strict EU regulations under REACH and CLP due to its hazardous classification. As a Category 2 carcinogen and Category 1B reproductive toxicant, it requires specialized handling, use restrictions, and occupational exposure limits. While not currently listed as an SVHC, its hazard profile may trigger authorization requirements. Users must comply with workplace safety regulations, environmental discharge controls, and maintain appropriate safety data sheets and risk assessments.

Where to buy 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol in Europe?

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is available through OYSI, a specialized European distributor of technical chemicals serving research and industrial clients. As a highly regulated substance due to its carcinogenic and reproductive toxicity classifications, procurement requires appropriate licensing, end-use documentation, and compliance with safety regulations. OYSI provides comprehensive safety documentation, regulatory support, and technical guidance to ensure proper handling and regulatory compliance for European customers requiring this specialized chemical.

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3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol 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.