7,7-dimethyloctanoyl chloride

C10H19ClO

CAS40292-82-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

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Identification

CAS Number
40292-82-8
EC Number
254-875-0
UN Number
2927
Index Number
607-313-00-7
PubChem CID
94502

Physical-chemical properties

Molecular Formula
C10H19ClO
Molar Mass
190.71 g/mol
IUPAC Name
7,7-dimethyloctanoyl chloride

Chemical Identifiers

InChI
InChI=1S/C10H19ClO/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3
InChI Key
WOFMVUZGDHWHLJ-UHFFFAOYSA-N

Overview

7,7-dimethyloctanoyl chloride (CAS 40292-82-8) is an acyl chloride compound with branched aliphatic structure and high reactivity toward nucleophiles. This specialized acyl chloride belongs to the family of acid chlorides, characterized by its distinctive branched eight-carbon chain with two methyl substituents at the 7-position. With a molecular formula of C10H19ClO and molecular weight of 190.71 g/mol, this compound exhibits typical acyl chloride reactivity patterns while offering unique steric properties due to its branched structure. The presence of the highly electrophilic carbonyl carbon makes it an excellent acylating agent for various synthetic transformations. The compound presents significant safety considerations, classified under multiple hazard categories including Acute Toxicity 2 and 4, along with Skin Corrosion 1B classification. These properties necessitate careful handling protocols, appropriate personal protective equipment, and adequate ventilation systems during use. The GHS06 and GHS05 pictograms indicate both acute toxicity and corrosive hazards, requiring specialized storage and transport procedures under ADR Class 6.1 regulations. Industrial applications primarily focus on organic synthesis where selective acylation is required. The compound serves as an intermediate in pharmaceutical manufacturing, particularly in the synthesis of complex molecules requiring branched acyl groups. Additionally, it finds use in specialty chemical production and advanced materials synthesis. Unlike simpler acylating agents such as chloromethylbenzene, this compound provides specific steric bulk that can influence reaction selectivity and product properties. OYSI maintains reliable supply chains for 7,7-dimethyloctanoyl chloride, ensuring consistent availability for European industrial customers requiring this specialized acylating reagent.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 4 *; Skin Corr. 1B

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

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

Fatal

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:

Skin Contact

Harmful

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

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 Number2927
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameNeodecansäurechlorid
Marine PollutantNo

Frequently Asked Questions

What is 7,7-dimethyloctanoyl chloride?

7,7-dimethyloctanoyl chloride is an organic compound with the molecular formula C10H19ClO and CAS number 40292-82-8. This acyl chloride derivative features a branched octanoic acid chain with two methyl substituents at the 7-position. With a molecular weight of 190.71 g/mol, it belongs to the family of fatty acid chlorides used primarily as chemical intermediates in organic synthesis for the preparation of esters, amides, and other derivatives.

What are the physicochemical properties of 7,7-dimethyloctanoyl chloride?

7,7-dimethyloctanoyl chloride is typically a colorless to pale yellow liquid at room temperature with a characteristic pungent, irritating odor typical of acyl chlorides. As an acyl chloride, it readily reacts with water and alcohols, making it moisture-sensitive. The compound has limited solubility in water due to rapid hydrolysis but is soluble in organic solvents such as dichloromethane, chloroform, and hydrocarbons.

What is 7,7-dimethyloctanoyl chloride used for?

7,7-dimethyloctanoyl chloride is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. It serves as an acylating agent for the preparation of esters, amides, and anhydrides. The compound is particularly valuable in the synthesis of specialized surfactants, polymer additives, and active pharmaceutical ingredients where the branched octanoyl structure provides specific properties. It may also be used in research applications for organic synthesis and material science.

How to handle 7,7-dimethyloctanoyl chloride safely?

7,7-dimethyloctanoyl chloride requires careful handling due to its acute toxicity (Acute Tox. 2 and 4) and corrosive properties (Skin Corr. 1B). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, face shield, and acid-resistant laboratory coat. Work must be conducted in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin, eyes, and clothing. Keep away from moisture and incompatible materials.

How to store 7,7-dimethyloctanoyl chloride correctly?

7,7-dimethyloctanoyl chloride must be stored in a cool, dry place away from moisture, heat, and direct sunlight. The container should be tightly sealed and made of compatible materials resistant to acyl chlorides. Store away from water, alcohols, amines, and bases which can cause vigorous reactions. The storage area should be well-ventilated and equipped with appropriate spill containment measures. Follow local regulations for storing corrosive and toxic substances.

What to do in case of contact with 7,7-dimethyloctanoyl chloride?

Immediate action is critical due to the compound's corrosive and toxic nature. For skin contact, immediately remove contaminated clothing and rinse with copious amounts of water for at least 15 minutes. For eye contact, flush immediately with water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and rinse mouth with water. Seek immediate medical attention in all cases of exposure.

How to dispose of 7,7-dimethyloctanoyl chloride appropriately?

7,7-dimethyloctanoyl chloride must be disposed of as hazardous waste according to local and national regulations. The compound cannot be discharged into sewers or the environment due to its toxicity and corrosive properties. Contact licensed waste disposal companies specialized in handling toxic and corrosive chemicals. Small quantities may be carefully neutralized with appropriate bases under controlled conditions before disposal, but this should only be performed by trained personnel following established protocols.

How to transport 7,7-dimethyloctanoyl chloride?

7,7-dimethyloctanoyl chloride is classified as dangerous goods under ADR regulations as Class 6.1 (Toxic substances), Packing Group II. Transportation requires appropriate packaging, labeling with GHS06 and GHS05 pictograms, and documentation including safety data sheets. Vehicles must comply with ADR requirements for toxic substances. Only trained personnel should handle the transport, and emergency procedures must be readily available. The package must be properly sealed and protected from moisture during transit.

Is 7,7-dimethyloctanoyl chloride subject to specific regulations?

7,7-dimethyloctanoyl chloride is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification as Acute Tox. 2, Acute Tox. 4, and Skin Corr. 1B with danger signal word. The compound is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with occupational safety regulations, environmental protection laws, and proper classification, labeling, and packaging requirements according to GHS standards.

Where to buy 7,7-dimethyloctanoyl chloride in Europe?

7,7-dimethyloctanoyl chloride is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical supplier, OYSI serves various industries including pharmaceuticals, fine chemicals, and research institutions across Europe. Contact OYSI directly for product availability, specifications, and technical support for your specific application requirements.

Data Sources

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