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

Our experts support you with application, dosage, and compliance.

Request Consultation

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 acute toxicity properties. This specialized chemical intermediate belongs to the nitrile family and features a unique molecular structure combining an alkyl ether linkage with a propanenitrile group. With the molecular formula C9H15NO and a molecular weight of 153.22 g/mol, this compound exhibits the characteristic properties of both nitriles and ethers, making it valuable for specific synthetic applications in organic chemistry. The compound presents significant safety considerations due to its classification as Acute Tox. 3 and Acute Tox. 4, requiring careful handling protocols and appropriate safety measures. Its GHS06 pictogram indicates acute toxicity hazards, while the GHS09 classification reflects its environmental impact potential, particularly regarding aquatic ecosystems where it shows both acute and chronic toxicity effects. Transportation falls under ADR Class 6.1, emphasizing the need for specialized logistics and storage requirements. In industrial applications, 3-[(Z)-hex-3-enoxy]propanenitrile serves primarily as a chemical intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing processes. Its nitrile functionality makes it suitable for further chemical transformations, while the ether linkage provides specific reactivity patterns valuable in complex molecule construction. The compound also finds use in specialty chemical production where its unique structural features are essential for creating targeted molecular architectures. Unlike simpler compounds such as N-methylaniline, this nitrile ether requires specialized handling expertise due to its complex structure and toxicity profile. Similar to other technical intermediates like dipropyl 7-methyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-5,6-dicarboxylate, it demands careful quality control and regulatory compliance. OYSI provides this specialized chemical intermediate with full documentation and technical support for qualified industrial customers.

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 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 weight of 153.22 g/mol and formula C9H15NO. As a nitrile derivative containing both aliphatic and ether functionalities, it exhibits moderate polarity. The presence of the nitrile group typically imparts a characteristic odor, while the ether linkage influences its solubility properties. Specific physical properties such as boiling point, density, and solubility data should be obtained from the safety data sheet.

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

3-[(Z)-hex-3-enoxy]propanenitrile is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its nitrile functional group makes it valuable for producing various derivatives through hydrolysis, reduction, or other chemical transformations. The compound may also serve as a building block in the synthesis of specialized chemicals, agrochemicals, or advanced materials. Its specific applications depend on the unique reactivity profile provided by its hex-3-enoxy and propanenitrile structural components.

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 appropriate respiratory protection when handling larger quantities. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency shower and eyewash stations are accessible. Train personnel on proper handling procedures and maintain updated safety data sheets in the workplace.

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 incompatible materials. Keep containers upright and properly labeled with hazard information. Storage areas must be equipped with appropriate spill containment measures due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Implement temperature monitoring and ensure storage facilities comply with local regulations for toxic substances. Maintain inventory records and regular container inspections.

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

Immediate action is required following contact with 3-[(Z)-hex-3-enoxy]propanenitrile due to its acute toxicity. For skin contact, immediately remove contaminated clothing and flush affected areas with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact poison control centers when necessary.

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

3-[(Z)-hex-3-enoxy]propanenitrile must be disposed of as hazardous waste due to its toxicity and environmental hazard classifications. Contact licensed hazardous waste disposal companies that can handle toxic organic compounds. Never discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Package waste in appropriate containers with proper labeling, and maintain disposal documentation. Follow local, national, and EU regulations for hazardous waste management, including waste tracking requirements.

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 (skull and crossbones) and GHS09 (environment) pictograms with "Danger" signal word. Use UN-specification packaging suitable for Packing Group III liquids. Transportation documents must include proper shipping names, hazard classes, and emergency response information. Ensure drivers have appropriate ADR training and vehicles carry required safety equipment.

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

3-[(Z)-hex-3-enoxy]propanenitrile is subject to EU REACH regulation requiring registration for manufacture or import above one tonne annually. It falls under CLP regulation with mandatory hazard classification (Acute Tox. 3*, Acute Tox. 4*, Aquatic Acute 1, Aquatic Chronic 1) and appropriate labeling. The compound is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational safety regulations, environmental discharge limits, and waste disposal requirements. Regular safety assessments and exposure monitoring may be required.

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

3-[(Z)-hex-3-enoxy]propanenitrile is available through OYSI, a European distributor specializing in chemical products for industrial applications. OYSI provides this compound to qualified customers with appropriate handling capabilities and regulatory compliance. As a hazardous substance requiring specialized knowledge, purchases are typically restricted to professional users in pharmaceutical, chemical manufacturing, or research sectors. Contact OYSI directly for availability, technical specifications, safety documentation, and delivery options across European markets.

Data Sources

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