(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 a complex organic compound combining fatty acid and amine functionalities with specialized industrial applications. This compound represents a sophisticated molecular structure with dual functionality, incorporating both an unsaturated fatty acid component and an alkoxylated amine group. With a molecular formula of C34H69NO3 and molecular weight of 539.9 g/mol, this substance demonstrates the complexity achievable in modern chemical synthesis. The presence of the trans double bond in the octadecenoic acid portion, combined with the tridecoxy-substituted propylamine component, creates unique physicochemical properties that make it valuable for specialized industrial applications. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It presents as a skin and eye irritant (categories 2), poses potential risks for specific target organ toxicity following repeated exposure (STOT RE 2), and demonstrates significant aquatic toxicity with both acute and chronic environmental concerns. The ADR class 9 classification indicates it falls under miscellaneous dangerous substances for transportation purposes. The warning signal word and associated GHS pictograms (GHS07, GHS08, GHS09) emphasize the need for appropriate personal protective equipment and environmental precautions during handling and storage. Industrial applications typically leverage the compound's amphiphilic properties and dual functionality. Common uses include specialized surfactant formulations, particularly in demanding industrial processes, and as an intermediate in the synthesis of complex chemical products. The compound may also find application in materials science, where its unique structure contributes to desired surface properties or interfacial behavior. While structurally different from simpler compounds like 1,4-dichlorobenzene, both materials serve important roles in industrial chemical processes requiring precise molecular design. OYSI maintains this specialized compound in its comprehensive portfolio of technical chemicals for European industrial customers.
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 represents a combination of a long-chain unsaturated fatty acid and an amine derivative. It is classified as hazardous with potential health and environmental concerns, requiring appropriate safety measures during handling and use.
What are the physicochemical properties of (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine has a molecular weight of 539.9 g/mol with the formula C34H69NO3. As a large organic molecule containing both fatty acid and amine components, it likely exists as a viscous liquid or waxy solid at room temperature. The compound's amphiphilic nature, combining hydrophobic alkyl chains with polar functional groups, suggests limited water solubility but good solubility 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 is typically used in specialized industrial applications requiring surfactant or emulsifying properties. Its unique molecular structure combining fatty acid and amine functionalities makes it suitable for formulation chemistry, particularly in coatings, adhesives, or specialty chemical manufacturing. The compound may also serve as an intermediate in the synthesis of more complex chemical products or as a processing aid in specific industrial applications.
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 with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to minimize exposure. Avoid skin and eye contact as the substance causes skin and eye irritation. Prevent release to the environment due to its aquatic toxicity classification. Follow good industrial hygiene practices and wash hands thoroughly after handling.
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 closed original containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers protected from physical damage and ensure secondary containment to prevent environmental release. Store away from oxidizing agents and strong acids or bases. Maintain proper inventory control and ensure containers are properly labeled according to CLP requirements. Regular inspection of storage conditions is recommended.
What to do in case of contact with (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine?
Immediate removal from exposure is essential when contact with (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine occurs. For skin contact, wash immediately with plenty of soap and water for at least 15 minutes and remove contaminated clothing. In case of eye contact, rinse thoroughly with water for at least 15 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or symptoms develop.
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 through licensed waste management companies. Due to its aquatic toxicity classification, prevent any release to water systems or soil. Disposal should comply with local, national, and European waste regulations including the Waste Framework Directive. Container disposal must follow the same hazardous waste procedures. Consult with certified waste disposal specialists to ensure proper treatment and disposal methods are employed.
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 substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must carry proper emergency equipment and drivers need ADR certification. Packages must be properly marked and labeled with the correct shipping name, UN number, and hazard labels as specified in ADR regulations.
Is (E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine subject to specific regulations?
(E)-octadec-9-enoic acid;3-tridecoxypropan-1-amine is subject to REACH regulation requiring registration for manufacture or import above 1 tonne per year in the EU. The substance is classified under CLP regulation with specific hazard pictograms (GHS07, GHS08, GHS09) and warning signal word. While not currently listed as SVHC, its STOT RE 2 and aquatic toxicity classifications require compliance with occupational exposure limits and environmental protection measures under relevant EU directives.
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 compound to industrial customers across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures product quality, appropriate packaging, and adherence to transportation requirements. Contact OYSI directly for availability, specifications, and technical support for your specific 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.