4,8,12-trimethyltrideca-3,7,11-trienoic acid

C16H26O2

CAS91853-67-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 unsaturated fatty acid featuring three double bonds and methyl substituents at specific positions. This specialized chemical compound belongs to the family of polyunsaturated fatty acids with a distinctive molecular structure characterized by its C16H26O2 formula and molecular weight of 250.38 g/mol. The presence of three conjugated double bonds at positions 3, 7, and 11, combined with methyl groups at positions 4, 8, and 12, gives this compound unique chemical properties that distinguish it from conventional fatty acids. The European Chemical Agency has assigned it EC number 403-000-2, reflecting its recognized status in chemical commerce. From a safety perspective, this substance requires careful handling due to its classification as a skin irritant (Category 2) and its acute and chronic aquatic toxicity (Category 1). The compound displays GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and significant environmental concerns. Its ADR Class 9 classification places it among miscellaneous dangerous substances for transportation purposes. Industrial applications of 4,8,12-trimethyltrideca-3,7,11-trienoic acid typically include use as an intermediate in specialty chemical synthesis, particularly in the production of complex organic molecules. It also finds application in research and development of bioactive compounds, where its unique structural features make it valuable for studying fatty acid metabolism pathways. The compound shares certain structural similarities with related molecules such as (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol, though their applications may differ significantly. OYSI maintains reliable supply chains for this specialized fatty acid derivative, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H400

Very toxic to aquatic life.

H410

Very 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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name4,8,12-Trimethyltrideca-3,7,11-triensäure, Isomere oder Isomerengemisch
Marine PollutantNo

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 branched-chain unsaturated fatty acid features three double bonds and three methyl substituents along its 13-carbon chain. With a molecular weight of 250.38 g/mol, it belongs to the class of polyunsaturated fatty acids and exhibits specific structural characteristics that make it valuable in various industrial applications.

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 lipophilic compound with limited water solubility due to its long hydrocarbon chain and branched structure. The presence of three double bonds contributes to its chemical reactivity and influences its melting point. As a carboxylic acid, it exhibits typical acidic properties with the ability to form salts and esters. Its molecular structure suggests moderate volatility and potential for oxidation at the unsaturated sites.

What is 4,8,12-trimethyltrideca-3,7,11-trienoic acid used for?

4,8,12-trimethyltrideca-3,7,11-trienoic acid serves as an intermediate in organic synthesis and specialty chemical manufacturing. Its unique branched structure and multiple double bonds make it valuable for developing complex molecules in pharmaceutical research, fragrance synthesis, and specialty polymer applications. The compound may also find use in biochemical studies related to fatty acid metabolism and as a building block for creating modified lipid structures with specific functional properties.

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 classification). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. The Warning signal word indicates moderate hazard level, requiring standard laboratory safety protocols and immediate washing if skin contact occurs.

How to store 4,8,12-trimethyltrideca-3,7,11-trienoic acid properly?

4,8,12-trimethyltrideca-3,7,11-trienoic acid should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. Due to its multiple double bonds, protect from oxidizing agents and store under inert atmosphere if possible to prevent degradation. Given its aquatic toxicity classification, ensure secondary containment to prevent environmental release. Store separately from incompatible materials and maintain proper labeling according to GHS requirements with pictograms GHS07 and GHS09.

What to do in case of contact with 4,8,12-trimethyltrideca-3,7,11-trienoic acid?

Immediate action is required upon contact with 4,8,12-trimethyltrideca-3,7,11-trienoic acid due to its skin irritant properties. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with plenty of clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Seek medical advice if irritation persists or worsens after initial treatment.

How to dispose of 4,8,12-trimethyltrideca-3,7,11-trienoic acid appropriately?

4,8,12-trimethyltrideca-3,7,11-trienoic acid requires specialized disposal due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating high environmental toxicity. Never dispose of this substance down drains or into the environment. Contact licensed hazardous waste disposal companies for proper treatment, which typically involves incineration at high temperatures. Follow local and national environmental regulations, including waste classification codes. Maintain proper documentation of disposal activities and ensure containers are properly labeled during the disposal process.

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 substances), Packing Group III, indicating lower-level transport hazard. Transportation requires appropriate UN-specification packaging with proper labeling including GHS pictograms GHS07 and GHS09. Shipping documentation must include the correct technical name, UN number, and hazard class. Carriers must be qualified for dangerous goods transport, and emergency response information should accompany shipments according to ADR regulations.

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 European chemical regulations including REACH registration requirements and CLP classification obligations. It is not currently identified as a Substance of Very High Concern (SVHC). The compound must be classified and labeled according to its hazard classifications (Skin Irrit. 2, Aquatic Acute 1, Aquatic Chronic 1) with appropriate pictograms GHS07 and GHS09. Users must maintain safety data sheets and follow occupational exposure guidelines for safe workplace handling.

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 compound with complete regulatory documentation including safety data sheets and certificates of analysis. As a professional chemical supplier, OYSI ensures proper packaging, labeling according to GHS requirements, and compliance with European transport regulations. Contact OYSI directly for 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.