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 estrogenic activity and significant safety considerations. This synthetic organic molecule, with the molecular formula C26H29NO2 and a molecular weight of 387.5 g/mol, belongs to the family of substituted phenols with pharmaceutical relevance. The compound features a distinctive structure combining phenolic groups with an ethoxy-linked dimethylamino side chain, contributing to its biological activity profile. Its classification under EC number 428-010-4 reflects its regulated status within European chemical legislation. The substance presents significant safety concerns, classified as a Category 2 carcinogen and Category 1B reproductive toxicant under CLP regulation. Additional hazard classifications include skin sensitization potential and acute and chronic aquatic toxicity, necessitating strict handling protocols. The GHS08, GHS07, and GHS09 pictograms emphasize health hazards and environmental risks, while the ADR Class 9 designation indicates miscellaneous dangerous goods requirements for transport. Primary industrial applications include use as a pharmaceutical intermediate and in specialized chemical synthesis processes. The compound may also serve in research applications related to estrogen receptor studies and endocrine research. Unlike simpler aromatic compounds such as diphenyldiazene, this molecule's complex structure and biological activity require specialized handling expertise and regulatory compliance. Due to its hazardous properties, comprehensive risk assessment and appropriate safety measures are essential for all handling operations. OYSI provides this specialized chemical compound with full regulatory documentation and technical support for qualified industrial customers requiring pharmaceutical-grade materials.

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 CAS number 82413-20-5. This substance has a molecular weight of 387.5 g/mol and features a phenolic structure with dimethylamino functionality. It is classified as a hazardous chemical with carcinogenic and reproductive toxicity properties, requiring careful handling and specialized safety measures during use.

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 compound with a molecular mass of 387.5 g/mol. As a complex phenolic compound containing both aromatic rings and an amino ether group, it likely exists as a solid at room temperature. The presence of the phenolic hydroxyl group and dimethylamino functionality suggests potential solubility in polar organic solvents, though specific physical properties would require detailed analytical characterization.

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 used in specialized industrial applications requiring its unique chemical structure. Given its complex molecular framework containing phenolic and amino functionalities, it may serve as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, or research applications. Due to its hazardous classification including carcinogenic properties, its use is restricted to professional industrial settings with appropriate safety controls and regulatory compliance.

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 Carc. 2, Repr. 1B, and Skin Sens. 1 classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or fume hoods to prevent inhalation. Avoid skin contact and ensure proper training on carcinogenic substance handling. Emergency procedures and decontamination protocols must be established 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 must be stored in a secure, well-ventilated area away from heat sources and incompatible materials. Given its hazardous classification, storage requires restricted access with appropriate warning signage. The container should be tightly sealed and stored in a secondary containment system to prevent environmental release. Temperature and humidity control may be necessary, and storage areas must comply with regulations for carcinogenic and reproductive toxicants.

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

Immediate action is critical upon contact with 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol due to its carcinogenic and sensitizing properties. For skin contact, immediately remove contaminated clothing and flush the affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water. If inhaled, move to fresh air immediately. Seek medical attention promptly in all cases, providing the safety data sheet to medical personnel.

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 requires specialized hazardous waste disposal due to its carcinogenic classification and environmental hazard properties (Aquatic Acute 1, Aquatic Chronic 1). Disposal must be performed by licensed hazardous waste contractors following local and EU regulations. The substance cannot be disposed of in regular waste streams or sewers. Proper documentation and waste tracking procedures are mandatory to ensure compliance with environmental protection requirements.

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 goods), Packing Group III for transportation. This requires proper packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must carry appropriate safety equipment and emergency response information. Drivers need hazardous materials training certification. The shipment must include proper shipping names, UN numbers, and emergency contact information for safe transport across European borders.

Is 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol subject to special 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 properties. Its classification as Carc. 2 and Repr. 1B subjects it to authorization requirements and use restrictions. While not currently listed as SVHC, its carcinogenic and reproductive toxicity properties require comprehensive risk assessments, exposure scenarios, and safety data sheets. Users must comply with occupational exposure limits and environmental discharge restrictions.

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 chemical distributor with expertise in hazardous substances. As this compound requires specialized handling due to its carcinogenic classification, OYSI provides comprehensive regulatory support, safety documentation, and proper packaging for safe delivery across Europe. Our technical team ensures full compliance with REACH requirements and provides guidance on safe handling protocols for professional users.

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

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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.