Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate

C25H42NNaO5

sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate

CAS148292-42-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
148292-42-6
EC Number
402-970-4
UN Number
3082
Index Number
607-188-00-9
PubChem CID
165360521

Physical-chemical properties

Molecular Formula
C25H42NNaO5
Molar Mass
459.60 g/mol
IUPAC Name
sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate

Chemical Identifiers

InChI
InChI=1S/C25H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(22-20-25(30)31)23(27)18-19-24(28)29;/h9-10,18-19H,2-8,11-17,20-22H2,1H3,(H,28,29)(H,30,31);/q;+1/p-1/b10-9-,19-18+;
InChI Key
KOGCKLKPMLXWNI-BDQHBQISSA-M

Overview

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate (CAS 148292-42-6) is a specialized amphoteric surfactant with distinctive molecular architecture combining oleyl and fumaric acid functionalities. This sodium salt compound represents an advanced class of N-acyl amino acid derivatives, featuring a unique molecular structure that incorporates both unsaturated fatty acid chains and carboxylic acid functionalities. The presence of the (Z)-octadec-9-enyl group (oleyl chain) provides excellent surface-active properties, while the fumaric acid moiety contributes to its distinctive chemical behavior and stability profile. With a molecular weight of 459.6 g/mol and the formula C25H42NNaO5, this compound exhibits amphiphilic characteristics that make it valuable in various industrial applications. The substance is classified under EC number 402-970-4 and presents specific safety considerations, including skin sensitization potential (Skin Sens. 1) and chronic aquatic toxicity (Aquatic Chronic 2). Transport regulations classify it under ADR Class 9, requiring appropriate handling protocols. Unlike simpler compounds such as ethyl 6,8-dichlorooctanoate, this complex surfactant offers enhanced performance characteristics due to its sophisticated molecular architecture. Primary industrial applications include specialized surfactant formulations for enhanced oil recovery, advanced cleaning systems, and high-performance emulsification processes. The compound's unique structure makes it particularly effective in applications requiring both surface tension reduction and chemical stability under challenging conditions. Its amphoteric nature allows for versatile pH compatibility across various industrial processes. The oleyl chain component provides excellent compatibility with hydrocarbon systems, while the multiple carboxylate groups ensure water solubility and ionic interactions. This dual functionality positions the compound as a premium specialty chemical for demanding applications where conventional surfactants may prove inadequate. OYSI maintains reliable supply chains for this specialized surfactant to support European industrial requirements.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

H411

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 NameHydrogennatrium-N-carboxylatoethyl-N-octa-dec-9-enylmaleamat
Marine PollutantNo

Frequently Asked Questions

What is sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is a complex organic sodium salt with the molecular formula C25H42NNaO5 and molecular weight of 459.6 g/mol. This compound features both carboxylate and amide functional groups with a long oleic acid chain. It is classified as CAS 148292-42-6 and presents moderate hazard characteristics including skin sensitization potential and aquatic toxicity concerns.

What are the physicochemical properties of sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is a solid compound at room temperature with amphiphilic properties due to its long hydrocarbon chain and ionic head group. The presence of the sodium carboxylate group suggests good water solubility, while the octadecenyl chain provides hydrophobic characteristics. The compound likely appears as a white to off-white powder or crystalline material with surfactant-like properties.

What is sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate used for?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is primarily used as a specialty surfactant and emulsifying agent in industrial formulations. Its unique molecular structure makes it suitable for applications requiring both hydrophilic and lipophilic properties, such as in cosmetic formulations, industrial cleaning products, and specialized chemical processing. The compound may also serve as an intermediate in the synthesis of other surfactant-based materials.

How to handle sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate safely?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate requires careful handling due to its Skin Sens. 1 classification. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Ensure adequate ventilation in work areas and avoid generating dust. Handle in accordance with GHS07 warning pictogram requirements and implement proper hygiene measures including thorough hand washing after handling.

How to store sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate correctly?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and heat sources. Store in original containers with proper labeling showing GHS07 and GHS09 pictograms. Ensure storage areas have appropriate containment measures to prevent environmental release due to the compound's Aquatic Chronic 2 classification.

What to do in case of contact with sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate?

In case of skin contact with sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or allergic reactions develop, considering the compound's skin sensitization potential.

How to dispose of sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate properly?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate must be disposed of through licensed hazardous waste contractors in accordance with local and European waste regulations. Do not discharge to sewers or environment due to its Aquatic Chronic 2 classification. Waste containers should be properly labeled and stored securely until collection. Consider recovery or recycling options where technically and economically feasible before disposal.

How to transport sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. Transport in appropriate UN-specification packaging with proper labeling and documentation. Ensure packages are secured against movement and damage during transit. Vehicles must carry appropriate emergency equipment and drivers should be trained in hazardous materials transportation procedures according to ADR regulations.

Is sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate subject to specific regulations?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is subject to REACH registration requirements and CLP classification regulations in Europe. The compound is classified under CLP as Skin Sens. 1 and Aquatic Chronic 2, requiring appropriate labeling with Warning signal word and GHS07/GHS09 pictograms. It is not currently listed as a Substance of Very High Concern (SVHC) under REACH regulations.

Where to buy sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate in Europe?

Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance including proper CLP labeling, safety data sheets, and transportation documentation. As a professional chemical distributor, OYSI ensures quality standards and regulatory compliance for industrial customers across Europe requiring this specialized surfactant compound.

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Sodium 3-[[(E)-3-carboxyprop-2-enoyl]-[(Z)-octadec-9-enyl]amino]propanoate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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