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 derivative featuring a branched octanoic acid structure with enhanced reactivity for organic synthesis applications. This specialized acyl chloride represents an important intermediate in organic chemistry, characterized by its unique branched-chain structure with two methyl substituents at the 7-position of the octanoyl backbone. With a molecular formula of C10H19ClO and molecular weight of 190.71 g/mol, this compound exhibits the typical high reactivity of acid chlorides, making it valuable for acylation reactions and the synthesis of esters, amides, and other carbonyl-containing compounds. The compound presents significant safety considerations, classified under multiple hazard categories including Acute Toxicity 2 and 4, along with Skin Corrosion 1B classification. The "Danger" signal word and associated GHS pictograms (GHS06 and GHS05) reflect its corrosive nature and acute toxicity potential. Transport classification under ADR Class 6.1 emphasizes the need for specialized handling protocols and appropriate personal protective equipment during storage, handling, and processing operations. In industrial applications, 7,7-dimethyloctanoyl chloride serves primarily as an acylating agent in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and advanced material production. Its branched structure offers unique steric properties compared to linear acyl chlorides, making it particularly valuable in applications requiring specific molecular architectures. The compound shares certain reactivity characteristics with other halogenated organic compounds like chloromethylbenzene, though its specific branched acyl chloride functionality provides distinct synthetic advantages. Professional users requiring this specialized intermediate can access 7,7-dimethyloctanoyl chloride through OYSI's comprehensive European distribution network, ensuring reliable supply for demanding industrial applications.

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 acyl chloride compound with the molecular formula C10H19ClO and CAS number 40292-82-8. This branched-chain fatty acid chloride has a molecular weight of 190.71 g/mol and features a characteristic dimethyl substitution at the 7th carbon position of the octanoyl chain. It belongs to the class of reactive acylating agents commonly used in organic synthesis and chemical manufacturing processes.

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 pungent, acrid odor characteristic of acyl chlorides. The compound is highly reactive with water, undergoing rapid hydrolysis to form the corresponding carboxylic acid and hydrogen chloride. It is soluble in organic solvents such as dichloromethane, chloroform, and aromatic hydrocarbons but reacts violently with protic solvents and moisture.

What is 7,7-dimethyloctanoyl chloride used for?

7,7-dimethyloctanoyl chloride serves as an important acylating agent in organic synthesis for the preparation of esters, amides, and anhydrides. It is commonly used in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications. The compound is particularly valuable for introducing the 7,7-dimethyloctanoyl group into target molecules through nucleophilic acyl substitution reactions with alcohols, amines, and other nucleophiles in controlled synthetic processes.

How to handle 7,7-dimethyloctanoyl chloride safely?

7,7-dimethyloctanoyl chloride requires strict safety protocols due to its corrosive and toxic properties. Essential PPE includes chemical-resistant gloves, safety goggles, face shield, and appropriate respiratory protection. Work must be conducted in a well-ventilated fume hood to prevent inhalation exposure. The compound's Acute Tox. 2 and Skin Corr. 1B classifications demand immediate emergency response procedures and trained personnel only should handle this material.

How to store 7,7-dimethyloctanoyl chloride correctly?

7,7-dimethyloctanoyl chloride must be stored in tightly sealed, moisture-proof containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The compound should be kept away from water, alcohols, amines, and strong bases which can cause violent reactions. Storage areas must be equipped with appropriate spill containment and emergency equipment. Regular container inspection is essential due to the compound's corrosive nature.

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

Immediate action is critical due to the compound's corrosive properties. For skin contact, immediately remove contaminated clothing and flush the affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse immediately with water for at least 15 minutes and seek immediate medical attention. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical assistance.

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

7,7-dimethyloctanoyl chloride disposal must comply with local and international hazardous waste regulations due to its toxic and corrosive classification. The compound cannot be disposed of in regular waste streams and requires specialized treatment by licensed hazardous waste disposal companies. Small quantities may be carefully hydrolyzed under controlled conditions, but this should only be performed by trained professionals with appropriate safety equipment and environmental permits.

How to transport 7,7-dimethyloctanoyl chloride?

7,7-dimethyloctanoyl chloride is classified under ADR Class 6.1 (Toxic substances), Packing Group II, requiring specialized transportation procedures. The compound must be packaged in UN-approved containers with appropriate labeling including GHS06 and GHS05 pictograms and 'Danger' signal word. Transportation requires proper documentation, trained drivers, and emergency response information. Only authorized carriers experienced in handling toxic chemicals should transport this material.

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

7,7-dimethyloctanoyl chloride is subject to comprehensive chemical safety regulations including REACH registration requirements in Europe and CLP classification obligations. The compound's Acute Tox. 2 and Skin Corr. 1B classifications impose strict handling, labeling, and safety data sheet requirements. While not currently listed as an SVHC substance, it remains under regulatory oversight for occupational exposure limits and environmental protection standards across European markets.

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

7,7-dimethyloctanoyl chloride is available through OYSI, a specialized European distributor of technical chemicals serving research institutions and industrial customers. OYSI provides comprehensive regulatory documentation, safety data sheets, and technical support for this compound. As a professional chemical distributor, OYSI ensures proper handling, packaging, and delivery compliance with European chemical regulations, making them a reliable source for this specialized acyl chloride compound.

Data Sources

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