3,7-dimethyloctanenitrile

C10H19N

CAS40188-41-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
40188-41-8
EC Number
403-620-3
UN Number
3077
Index Number
608-022-00-8
PubChem CID
170284

Physical-chemical properties

Molecular Formula
C10H19N
Molar Mass
153.26 g/mol
IUPAC Name
3,7-dimethyloctanenitrile

Chemical Identifiers

InChI
InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3
InChI Key
SAPMLSXAXRULJB-UHFFFAOYSA-N

Overview

3,7-dimethyloctanenitrile (CAS 40188-41-8) is an organic nitrile compound featuring a branched eight-carbon chain with methyl substituents at positions 3 and 7. This specialized chemical intermediate belongs to the aliphatic nitrile family and serves as a valuable building block in organic synthesis and industrial applications. With the molecular formula C10H19N and a molecular weight of 153.26 g/mol, 3,7-dimethyloctanenitrile exhibits the characteristic properties of medium-chain nitrile compounds, including moderate polarity and distinctive reactivity patterns typical of the cyano functional group. The compound requires careful handling due to its classification as a skin irritant and sensitizer, warranting appropriate personal protective equipment and workplace safety measures. Its environmental profile indicates potential for chronic aquatic toxicity, necessitating proper containment and disposal procedures in accordance with regulatory guidelines. The GHS07 and GHS09 pictograms reflect these health and environmental hazard considerations, while its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. In industrial applications, 3,7-dimethyloctanenitrile finds use primarily as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its branched structure and nitrile functionality make it particularly valuable in the production of complex molecular frameworks. The compound shares structural similarities with other branched aldehydes and alcohol derivatives such as 2,5,7,7-tetramethyloctanal, which are also utilized in fragrance and flavor chemistry applications. Manufacturing processes benefit from its stability under standard conditions and compatibility with various reaction systems. Quality control parameters ensure consistent purity levels for downstream applications requiring precise chemical specifications. OYSI maintains reliable supply chains for 3,7-dimethyloctanenitrile to support European industrial customers with technical-grade material meeting industry standards.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H317

May cause an allergic skin reaction.

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

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 Name3,7-Dimethyloctannitril
Marine PollutantNo

Frequently Asked Questions

What is 3,7-dimethyloctanenitrile?

3,7-dimethyloctanenitrile is an organic nitrile compound with the molecular formula C10H19N and CAS number 40188-41-8. This branched aliphatic nitrile has a molecular weight of 153.26 g/mol and features two methyl substituents at positions 3 and 7 of an octane chain terminating in a nitrile group. It is classified as a skin irritant and sensitizer with moderate aquatic toxicity.

What are the physicochemical properties of 3,7-dimethyloctanenitrile?

3,7-dimethyloctanenitrile is a liquid organic compound at room temperature with characteristic nitrile odor. As a branched aliphatic nitrile, it exhibits typical properties of this chemical class including limited water solubility due to its hydrophobic alkyl chain, while being soluble in organic solvents. The compound has a molecular weight of 153.26 g/mol and contains ten carbon atoms with two methyl branches.

What is 3,7-dimethyloctanenitrile used for?

3,7-dimethyloctanenitrile is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its nitrile functional group makes it valuable for producing various derivatives including amines, carboxylic acids, and other nitrogen-containing compounds. The compound may also serve as a building block in pharmaceutical synthesis, specialty chemicals production, and as a precursor in the manufacture of polymers or agrochemicals.

How to handle 3,7-dimethyloctanenitrile safely?

3,7-dimethyloctanenitrile requires careful handling due to its skin irritant and sensitizing properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to avoid inhalation. Prevent skin and eye contact, and avoid generating aerosols. Use non-sparking tools and equipment, and ensure proper grounding of containers during transfer operations.

How to store 3,7-dimethyloctanenitrile correctly?

3,7-dimethyloctanenitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and protected from physical damage. Store away from incompatible materials such as strong oxidizing agents, acids, and bases. Maintain storage temperatures within recommended ranges and ensure adequate spill containment measures are in place in the storage area.

What to do in case of contact with 3,7-dimethyloctanenitrile?

In case of skin contact with 3,7-dimethyloctanenitrile, 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 while holding eyelids open. If inhaled, move the person to fresh air and keep at rest. Seek medical attention if irritation persists or symptoms develop, especially given the compound's sensitizing properties.

How to dispose of 3,7-dimethyloctanenitrile appropriately?

3,7-dimethyloctanenitrile must be disposed of according to local and national hazardous waste regulations due to its classification as skin irritant and aquatic pollutant. Do not discharge into drains, waterways, or soil. Collect waste in appropriate containers for disposal through licensed waste management companies. Incineration at approved high-temperature facilities or chemical treatment may be suitable disposal methods depending on local regulations.

How to transport 3,7-dimethyloctanenitrile?

3,7-dimethyloctanenitrile is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, marking, labeling, and documentation according to dangerous goods transport regulations. Use UN-approved packaging and ensure proper placarding of transport vehicles. Transport documents must include the correct shipping name, UN number, and hazard class information as required by ADR regulations.

Is 3,7-dimethyloctanenitrile subject to specific regulations?

3,7-dimethyloctanenitrile is subject to REACH regulation in Europe and must comply with CLP classification requirements as a skin irritant (Category 2), skin sensitizer (Category 1), and aquatic chronic toxicant (Category 2). The compound is not currently listed as a SVHC (Substance of Very High Concern). Users must follow proper classification, labeling, and safety data sheet requirements under these regulations.

Where to buy 3,7-dimethyloctanenitrile in Europe?

3,7-dimethyloctanenitrile is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides reliable supply of quality chemical products with proper documentation, safety data sheets, and regulatory compliance support across European markets. Contact OYSI directly for availability, specifications, packaging options, and delivery information for 3,7-dimethyloctanenitrile to meet your specific industrial requirements.

Data Sources

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