4,8,12-trimethyltrideca-3,7,11-trienoic acid
C16H26O2
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Identification
- CAS Number
- 91853-67-7
- EC Number
- 403-000-2
- UN Number
- 3082
- Index Number
- 607-208-00-6
- PubChem CID
- 53791761
Physical-chemical properties
- Molecular Formula
- C16H26O2
- Molar Mass
- 250.38 g/mol
- IUPAC Name
- 4,8,12-trimethyltrideca-3,7,11-trienoic acid
Chemical Identifiers
- InChI
- InChI=1S/C16H26O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,17,18)
- InChI Key
- FCINNSNPGOGNMQ-UHFFFAOYSA-N
Overview
4,8,12-trimethyltrideca-3,7,11-trienoic acid (CAS 91853-67-7) is a branched-chain unsaturated fatty acid featuring three methyl substituents and conjugated double bonds. This specialized fatty acid derivative represents a unique structural compound within the realm of technical chemistry applications. With its molecular formula C16H26O2 and molecular weight of 250.38 g/mol, this substance exhibits distinctive chemical properties attributed to its three strategically positioned double bonds and methyl branches along the thirteen-carbon chain. The compound's structural complexity makes it particularly valuable in specialized industrial processes where precise molecular architecture is essential. From a safety perspective, 4,8,12-trimethyltrideca-3,7,11-trienoic acid is classified with a Warning signal word under GHS regulations. The substance presents skin irritation properties (Skin Irrit. 2) and poses environmental concerns as both an acute and chronic aquatic hazard (Aquatic Acute 1; Aquatic Chronic 1). These classifications necessitate proper handling procedures and environmental protection measures during storage and application. The compound falls under ADR Class 9 for transportation purposes, requiring appropriate shipping protocols. In industrial applications, this fatty acid serves primarily in specialized chemical synthesis processes, particularly in the development of bio-active compounds and pharmaceutical intermediates. Its unique structural features also make it suitable for advanced materials research and specialty surfactant formulations. While structurally distinct from related compounds such as (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol, it shares certain applications in fine chemical manufacturing where complex molecular frameworks are required. OYSI maintains reliable supplies of 4,8,12-trimethyltrideca-3,7,11-trienoic acid to support diverse European industrial requirements, ensuring consistent quality and regulatory compliance for our technical chemistry partners.
Safety & Classification
Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 4,8,12-Trimethyltrideca-3,7,11-triensäure, Isomere oder Isomerengemisch |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4,8,12-trimethyltrideca-3,7,11-trienoic acid?
4,8,12-trimethyltrideca-3,7,11-trienoic acid is an organic compound with the molecular formula C16H26O2 and CAS number 91853-67-7. This carboxylic acid features a 13-carbon chain with three double bonds and three methyl substituents at specific positions. With a molecular weight of 250.38 g/mol, it belongs to the class of unsaturated fatty acids and is classified as a skin irritant and aquatic pollutant under GHS regulations.
What are the physicochemical properties of 4,8,12-trimethyltrideca-3,7,11-trienoic acid?
4,8,12-trimethyltrideca-3,7,11-trienoic acid is a liquid organic compound at room temperature with a molecular weight of 250.38 g/mol. The presence of three double bonds and methyl branches affects its physical properties, typically resulting in lower melting point compared to saturated analogs. As a carboxylic acid, it exhibits polar characteristics and limited water solubility, being more soluble in organic solvents like alcohols and hydrocarbons.
What is 4,8,12-trimethyltrideca-3,7,11-trienoic acid used for?
4,8,12-trimethyltrideca-3,7,11-trienoic acid is primarily used in specialized chemical synthesis and research applications. Its unique structure with multiple double bonds and methyl substituents makes it valuable as an intermediate in organic synthesis, particularly in the production of complex molecules. It may also find applications in the development of specialty chemicals, pharmaceuticals, or as a building block for advanced materials requiring specific structural features.
How to handle 4,8,12-trimethyltrideca-3,7,11-trienoic acid safely?
4,8,12-trimethyltrideca-3,7,11-trienoic acid requires careful handling due to its skin irritant properties (Skin Irrit. 2). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid direct skin and eye contact. The Warning signal word indicates moderate hazard level, but proper safety protocols must be followed to prevent irritation and environmental release.
How to store 4,8,12-trimethyltrideca-3,7,11-trienoic acid correctly?
4,8,12-trimethyltrideca-3,7,11-trienoic acid should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. As an unsaturated compound, protect from oxidizing agents and extreme temperatures. Store away from incompatible materials and ensure containers are properly labeled. Due to its aquatic toxicity classification, implement secondary containment measures to prevent environmental release and comply with local storage regulations for hazardous chemicals.
What to do in case of contact with 4,8,12-trimethyltrideca-3,7,11-trienoic acid?
Immediate action is required if contact occurs with 4,8,12-trimethyltrideca-3,7,11-trienoic acid due to its skin irritant properties. For skin contact, immediately remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. For eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for detailed first aid measures.
How to dispose of 4,8,12-trimethyltrideca-3,7,11-trienoic acid appropriately?
4,8,12-trimethyltrideca-3,7,11-trienoic acid must be disposed of as hazardous waste due to its classification as aquatic pollutant (Aquatic Acute 1; Aquatic Chronic 1). Never discharge into drains, sewers, or water bodies. Contact licensed hazardous waste disposal companies for proper treatment. Incineration at authorized facilities may be appropriate for organic waste. Always comply with local, national, and EU waste regulations including the Waste Framework Directive and relevant national implementations.
How to transport 4,8,12-trimethyltrideca-3,7,11-trienoic acid?
4,8,12-trimethyltrideca-3,7,11-trienoic acid is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating relatively lower transport hazard. Use appropriate UN-specification packaging and ensure proper labeling with GHS07 and GHS09 pictograms. Transport documentation must include proper shipping names and hazard classifications. Vehicles must comply with ADR requirements for Class 9 substances, including appropriate placarding and driver training for hazardous materials transport.
Is 4,8,12-trimethyltrideca-3,7,11-trienoic acid subject to specific regulations?
4,8,12-trimethyltrideca-3,7,11-trienoic acid is subject to standard EU chemical regulations including REACH registration requirements and CLP classification obligations. It is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets and ensure proper classification as Skin Irrit. 2, Aquatic Acute 1, and Aquatic Chronic 1. Users must comply with occupational exposure limits and environmental protection measures under relevant national implementations of EU directives.
Where to buy 4,8,12-trimethyltrideca-3,7,11-trienoic acid in Europe?
4,8,12-trimethyltrideca-3,7,11-trienoic acid is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this specialty chemical with proper documentation, safety data sheets, and regulatory compliance for European markets. As a specialized intermediate, availability may vary based on production schedules and minimum order quantities. Contact OYSI directly for current availability, specifications, packaging options, and technical support for your specific application requirements.
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4,8,12-trimethyltrideca-3,7,11-trienoic acid is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.