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 aliphatic nitrile compound with branched methyl substituents and moderate skin sensitization properties. This specialized organic nitrile represents a valuable intermediate in chemical synthesis, featuring a ten-carbon chain structure with methyl branches at positions 3 and 7, terminated by a cyano functional group. The compound's molecular formula C10H19N and molecular weight of 153.26 g/mol reflect its moderate size within the nitrile family, making it suitable for various industrial applications requiring specific structural characteristics. From a safety perspective, 3,7-dimethyloctanenitrile requires careful handling protocols due to its classification as a skin irritant (Category 2) and skin sensitizer (Category 1). The compound also presents moderate aquatic toxicity concerns with chronic effects (Category 2), necessitating appropriate environmental protection measures during storage and use. The GHS07 and GHS09 pictograms indicate both health hazards and environmental risks, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Industrial applications of this nitrile compound typically involve its use as a chemical intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and fragrance production. Its structural relationship to compounds like 2,5,7,7-tetramethyloctanal demonstrates its utility within complex synthetic pathways, particularly in creating branched-chain molecules with specific olfactory or biological properties. The compound's branched structure and nitrile functionality make it particularly valuable for developing specialty materials and fine chemicals. OYSI maintains reliable supply chains for 3,7-dimethyloctanenitrile, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

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 compound with the molecular formula C10H19N and CAS number 40188-41-8. This nitrile compound has a molecular weight of 153.26 g/mol and features a branched octane chain with two methyl substituents at positions 3 and 7, terminated by a nitrile functional group. It is classified as a skin irritant and sensitizer with moderate aquatic toxicity, requiring careful handling in industrial applications.

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

3,7-dimethyloctanenitrile is a colorless to pale yellow liquid with a characteristic odor typical of nitrile compounds. As an organic nitrile with a branched alkyl chain, it exhibits limited water solubility but good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The compound has a boiling point in the range of 200-250°C and a density lower than water due to its hydrocarbon structure.

What is 3,7-dimethyloctanenitrile used for?

3,7-dimethyloctanenitrile is primarily used as an intermediate in organic synthesis and chemical manufacturing. Its nitrile functional group makes it valuable for producing amines, carboxylic acids, and other nitrogen-containing compounds through various chemical transformations. The compound finds applications in pharmaceutical synthesis, agrochemical production, and specialty chemical manufacturing where branched nitrile intermediates are required for specific molecular architectures.

How to handle 3,7-dimethyloctanenitrile safely?

3,7-dimethyloctanenitrile must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction to avoid inhalation exposure. The compound can cause skin irritation and sensitization, so minimize direct contact. Use non-sparking tools and ensure proper grounding when transferring the material to prevent static electricity buildup.

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, ignition sources, and direct sunlight. Keep containers upright and properly labeled in a designated chemical storage area. Avoid storage near strong oxidizing agents, acids, and bases that may react with the nitrile group. Maintain storage temperatures below 25°C and ensure containers are compatible with organic solvents.

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 to fresh air immediately. Seek medical attention if irritation persists or if signs of sensitization develop. Do not induce vomiting if accidentally ingested.

How to dispose of 3,7-dimethyloctanenitrile properly?

3,7-dimethyloctanenitrile must be disposed of according to local, national, and international waste regulations as hazardous chemical waste. The compound cannot be disposed of in regular trash or poured down drains due to its environmental hazard classification. Contact licensed waste disposal companies specializing in organic chemical waste for proper collection and treatment. Ensure waste containers are properly labeled and segregated from incompatible materials.

How to transport 3,7-dimethyloctanenitrile?

3,7-dimethyloctanenitrile is classified under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. It must be packaged in UN-approved containers with proper hazard labels and documentation. Transport vehicles must comply with ADR regulations for Class 9 substances, including proper placarding and emergency response information. Ensure packages are secured to prevent damage during transit and avoid extreme temperatures.

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, displaying GHS07 and GHS09 pictograms with warning signal word. The compound is not currently listed as an SVHC (Substance of Very High Concern). Users must follow occupational exposure limits and implement appropriate risk management measures. Registration and safety data sheet requirements apply for commercial use and distribution within the EU.

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 this compound with full regulatory compliance, proper documentation, and technical support for industrial customers across Europe. The company ensures product quality, proper packaging, and adherence to transportation regulations. Contact OYSI directly for availability, specifications, and technical assistance for your specific application requirements.

Data Sources

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