3-[(Z)-hex-3-enoxy]propanenitrile

C9H15NO

CAS142653-61-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 3-[(Z)-hex-3-enoxy]propanenitrile

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Identification

CAS Number
142653-61-0
EC Number
415-220-6
UN Number
3276
Index Number
608-043-00-2
PubChem CID
15031854

Physical-chemical properties

Molecular Formula
C9H15NO
Molar Mass
153.22 g/mol
IUPAC Name
3-[(Z)-hex-3-enoxy]propanenitrile

Chemical Identifiers

InChI
InChI=1S/C9H15NO/c1-2-3-4-5-8-11-9-6-7-10/h3-4H,2,5-6,8-9H2,1H3/b4-3-
InChI Key
TVSGBEJPUDTIBF-ARJAWSKDSA-N

Overview

3-[(Z)-hex-3-enoxy]propanenitrile (CAS 142653-61-0) is an organic nitrile compound with ether functionality and geometric isomerism properties. This specialized chemical intermediate features a unique molecular structure combining a nitrile group with an ether linkage and a Z-configured double bond in the hexenyl chain. With the molecular formula C9H15NO and a molecular weight of 153.22 g/mol, this compound represents an important class of functionalized nitriles used in advanced organic synthesis. The presence of the Z-stereoisomer configuration at the hex-3-ene position provides specific spatial orientation that can be crucial for certain chemical transformations and biological activities. The compound exhibits significant toxicity profiles, classified under Acute Toxicity categories 3 and 4, requiring careful handling protocols and appropriate safety measures. Its environmental impact classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates potential harmful effects on aquatic ecosystems, necessitating controlled disposal and environmental protection measures. The ADR classification 6.1 confirms its status as a toxic substance requiring specialized transportation and storage conditions. In industrial applications, 3-[(Z)-hex-3-enoxy]propanenitrile serves primarily as a chemical intermediate in pharmaceutical synthesis and specialty chemical manufacturing. Its unique structural features make it valuable for producing complex organic molecules where stereospecific geometry is essential. The compound also finds use in research and development applications, particularly in medicinal chemistry where nitrile-containing compounds are frequently employed as building blocks. Unlike simpler compounds such as N-methylaniline, this molecule offers enhanced functionality through its combined ether and nitrile groups. OYSI provides reliable access to 3-[(Z)-hex-3-enoxy]propanenitrile for European industrial customers requiring high-quality chemical intermediates for their manufacturing processes.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H302

Harmful if swallowed.

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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Ingestion

Harmful

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 Number3276
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping Name3-(cis-3-Hexenyloxy)propannitril
Marine PollutantNo

Frequently Asked Questions

What is 3-[(Z)-hex-3-enoxy]propanenitrile?

3-[(Z)-hex-3-enoxy]propanenitrile is an organic chemical compound with the molecular formula C9H15NO and CAS number 142653-61-0. This nitrile derivative has a molecular weight of 153.22 g/mol and features a propanenitrile group linked to a hex-3-enoxy chain in Z-configuration. It is classified as a hazardous substance with acute toxicity properties and environmental hazards, requiring careful handling and storage protocols in industrial applications.

What are the physicochemical properties of 3-[(Z)-hex-3-enoxy]propanenitrile?

3-[(Z)-hex-3-enoxy]propanenitrile is an organic liquid compound with a molecular formula C9H15NO and molecular weight of 153.22 g/mol. The compound contains both nitrile and ether functional groups, with a Z-configured double bond in the hexenoxy chain. Its exact physical properties such as boiling point, density, and solubility require specific testing, though its organic nature suggests limited water solubility and good solubility in organic solvents.

What is 3-[(Z)-hex-3-enoxy]propanenitrile used for?

3-[(Z)-hex-3-enoxy]propanenitrile serves as an intermediate compound in organic synthesis and chemical manufacturing processes. Its nitrile functional group makes it valuable for producing various derivatives through hydrolysis, reduction, or other chemical transformations. The compound may also find applications in specialty chemical formulations, pharmaceutical intermediates, or as a building block for more complex organic molecules in research and industrial chemistry applications.

How to handle 3-[(Z)-hex-3-enoxy]propanenitrile safely?

3-[(Z)-hex-3-enoxy]propanenitrile requires careful handling due to its Acute Tox. 3 and 4 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency washing facilities are readily available. Handle containers carefully to prevent spills and always follow established chemical safety protocols.

How to store 3-[(Z)-hex-3-enoxy]propanenitrile correctly?

3-[(Z)-hex-3-enoxy]propanenitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Given its toxicity classification, storage areas must be secure and accessible only to trained personnel. Keep away from incompatible materials and ensure proper labeling with hazard information. Storage facilities should have appropriate spill containment measures and emergency response equipment readily available for safe handling.

What to do in case of contact with 3-[(Z)-hex-3-enoxy]propanenitrile?

Immediate action is required upon contact with 3-[(Z)-hex-3-enoxy]propanenitrile due to its acute toxicity. For skin contact, immediately remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention while providing the safety data sheet.

How to dispose of 3-[(Z)-hex-3-enoxy]propanenitrile appropriately?

3-[(Z)-hex-3-enoxy]propanenitrile must be disposed of as hazardous waste according to local and national regulations due to its toxicity and environmental hazard classifications. Contact licensed hazardous waste disposal companies for proper collection and treatment. Never dispose of this chemical through regular waste streams or pour down drains. Small quantities may require specific treatment methods, while larger amounts need professional hazardous waste management services with appropriate documentation and tracking.

How to transport 3-[(Z)-hex-3-enoxy]propanenitrile?

3-[(Z)-hex-3-enoxy]propanenitrile is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. Packages must bear appropriate hazard labels including GHS06 and GHS09 pictograms with 'Danger' signal word. Transportation requires proper documentation, appropriate packaging specifications, and compliance with dangerous goods regulations. Vehicles must carry emergency response information and drivers need adequate training for handling toxic substances during transport.

Is 3-[(Z)-hex-3-enoxy]propanenitrile subject to specific regulations?

3-[(Z)-hex-3-enoxy]propanenitrile is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification standards. The compound is not currently listed as a SVHC (Substance of Very High Concern) but must comply with standard chemical safety regulations due to its toxicity and environmental hazard classifications. Users must maintain safety data sheets, implement appropriate risk management measures, and follow occupational exposure limits where established.

Where to buy 3-[(Z)-hex-3-enoxy]propanenitrile in Europe?

3-[(Z)-hex-3-enoxy]propanenitrile is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides reliable supply chains for industrial and research customers across Europe, ensuring proper handling, documentation, and regulatory compliance for hazardous chemicals. Contact OYSI directly for availability, specifications, and pricing information. As a controlled substance requiring special handling, purchase is typically restricted to qualified industrial users and research institutions with appropriate safety facilities.

Data Sources

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