(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine
C34H69NO3
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Identification
- CAS Number
- 778577-53-0
- EC Number
- 418-990-1
- UN Number
- 3082
- Index Number
- 607-460-00-7
- PubChem CID
- 170901611
Physical-chemical properties
- Molecular Formula
- C34H69NO3
- Molar Mass
- 539.90 g/mol
- IUPAC Name
- (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine
Chemical Identifiers
- InChI
- InChI=1S/C18H34O2.C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-17H2,1H3/b10-9+;
- InChI Key
- MLDAKFWMRPQLBO-RRABGKBLSA-N
Overview
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine (CAS 778577-53-0) is an organic compound combining fatty acid and amine functionalities with surfactant properties. This specialized chemical compound represents a unique combination of elaidic acid, an 18-carbon monounsaturated trans fatty acid, and a long-chain alkoxypropylamine derivative. With its molecular formula C34H69NO3 and molecular weight of 539.9 g/mol, this substance exhibits amphiphilic characteristics due to its dual hydrophilic and lipophilic structural components. The compound's structure incorporates both carboxylic acid functionality from the octadecenoic acid portion and primary amine functionality from the tridecoxypropylamine segment, making it particularly valuable in applications requiring both surface-active and chemical reactivity properties. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It presents moderate health concerns with STOT RE 2 classification indicating potential for specific target organ toxicity through repeated exposure, alongside skin and eye irritation properties (Skin Irrit. 2, Eye Irrit. 2). Environmental considerations are significant, as the compound shows high aquatic toxicity with both acute and chronic effects (Aquatic Acute 1, Aquatic Chronic 1). The Warning signal word and associated GHS pictogrammes (GHS07, GHS08, GHS09) reflect these combined health and environmental hazards. Transportation falls under ADR Class 9 miscellaneous dangerous goods. Industrial applications typically include specialty surfactant formulations, emulsification systems, and chemical intermediates where both fatty acid and amine functionalities are beneficial. Unlike simpler compounds such as 1,4-dichlorobenzene used in different industrial sectors, this complex molecule serves niche applications requiring specific amphiphilic properties. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.
Safety & Classification
STOT RE 2 *; Skin Irrit. 2; Eye 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:
Eye Contact
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:
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 | 3-Tridecyloxy-propyl-ammonium-9-octadecenoat |
| Marine Pollutant | No |
Frequently Asked Questions
What is (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine is a complex organic compound with CAS number 778577-53-0 and molecular formula C34H69NO3. This substance has a molecular weight of 539.9 g/mol and combines a long-chain unsaturated fatty acid component with an alkoxylated amine structure. It is classified as hazardous with multiple safety concerns including skin and eye irritation, potential organ toxicity, and environmental hazards to aquatic life.
What are the physicochemical properties of (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine exhibits properties typical of long-chain amphiphilic molecules due to its fatty acid and amine components. With a molecular weight of 539.9 g/mol and formula C34H69NO3, it likely appears as a viscous liquid or waxy solid at room temperature. The compound contains both hydrophilic and hydrophobic regions, suggesting surfactant-like properties and limited water solubility while being more soluble in organic solvents.
What is (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine used for?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine serves primarily as a specialty chemical intermediate in industrial applications. Its amphiphilic structure makes it suitable for use in surfactant formulations, emulsification processes, and as a processing aid in various chemical manufacturing operations. The compound may also function as a coupling agent or modifier in polymer chemistry applications, particularly where both fatty acid and amine functionalities are required for specific chemical reactions.
How to handle (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine safely?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine requires careful handling due to its irritant and toxic properties. 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 extraction to avoid inhalation. Handle with appropriate tools to minimize direct contact, and ensure emergency washing facilities are readily available. Regular health monitoring may be necessary due to STOT RE 2 classification indicating potential organ toxicity.
How to store (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine correctly?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine should be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its environmental hazards (Aquatic Acute 1, Aquatic Chronic 1), implement secondary containment measures to prevent environmental release. Store away from oxidizing agents and strong acids or bases that could react with the amine functionality. Maintain proper labeling and ensure storage areas comply with local chemical storage regulations.
What to do in case of contact with (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine?
Immediate action is required upon contact with (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine due to its 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 clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially given the STOT RE 2 classification, and provide safety data sheet to medical personnel.
How to dispose of (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine appropriately?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine must be disposed of as hazardous waste due to its environmental and health hazards. Contact licensed hazardous waste disposal companies for proper treatment and disposal according to local and European waste regulations. Never discharge to drains, soil, or waterways due to its high aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Contaminated packaging should also be treated as hazardous waste. Maintain proper documentation of waste disposal activities as required by regulatory authorities.
How to transport (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate hazardous goods packaging, labeling, and documentation during transport. Vehicles must carry proper placarding and emergency response information. Only trained personnel should handle transportation activities, and shipments must comply with ADR regulations for packaging, marking, and documentation. Ensure packages are properly secured and protected from damage during transit to prevent environmental release.
Is (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine subject to special regulations?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine is subject to European chemical regulations including REACH registration requirements and CLP classification and labeling obligations. The substance is not currently identified as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets and ensure proper classification with GHS pictograms (GHS07, GHS08, GHS09) and warning signal word. Users must implement appropriate risk management measures and may need to register downstream use depending on quantities and applications under REACH regulation.
Where to buy (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine in Europe?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this specialty chemical compound to industrial customers across Europe with proper regulatory compliance including safety data sheets and appropriate packaging for ADR Class 9 transportation requirements. As a technical specialty chemical, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for specific availability, technical specifications, and regulatory documentation for your application requirements.
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(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine 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.