Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate

C36H61NaO6S

sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate

CAS155160-86-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
155160-86-4
EC Number
407-530-5
UN Number
3077
Index Number
016-068-00-X
PubChem CID
22095732

Physical-chemical properties

Molecular Formula
C36H61NaO6S
Molar Mass
644.90 g/mol
IUPAC Name
sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate

Chemical Identifiers

InChI
InChI=1S/C36H62O6S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-35(37)32-29-33(31-34(30-32)43(39)40)36(38)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h29-31H,3-28H2,1-2H3,(H,39,40);/q;+1/p-1
InChI Key
XFTDZWCQVOEWCC-UHFFFAOYSA-M

Overview

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate (CAS 155160-86-4) is an organosulfur compound with surfactant properties and long-chain alkyl ester functionalities. This specialized chemical compound belongs to the benzenesulfinate family and features a unique molecular structure combining a benzene ring with two tetradecoxycarbonyl groups and a sulfinate sodium salt functionality. With its molecular formula C36H61NaO6S and molecular weight of 644.9 g/mol, this substance exhibits amphiphilic characteristics due to its dual hydrophilic sulfinate head group and lipophilic long-chain ester tails. The compound's structure shares certain functional similarities with other specialty chemicals like ethyl 6,8-dichlorooctanoate in terms of long-chain ester functionality, though they serve different industrial applications. From a safety perspective, sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is classified as a skin sensitizer (Skin Sens. 1) and poses chronic aquatic toxicity concerns (Aquatic Chronic 2). The substance carries a Warning signal word and requires appropriate GHS07 and GHS09 pictogram labeling. Transportation falls under ADR Class 9, indicating it is a miscellaneous dangerous substance requiring proper handling protocols during shipping and storage. Industrial applications typically include use as a specialty surfactant in formulation chemistry, particularly in systems requiring specific surface tension modification properties. The compound may also find application in advanced materials processing where controlled interfacial properties are essential, and in certain pharmaceutical or cosmetic formulations requiring biocompatible surfactant systems. OYSI maintains reliable supply chains for this specialized organosulfur compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameNatrium-3,5-bis(tetradecyloxycarbonyl)benzensulfinat
Marine PollutantNo

Frequently Asked Questions

What is sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is an organosulfur chemical compound with the molecular formula C36H61NaO6S and CAS number 155160-86-4. This substance has a molecular weight of 644.9 g/mol and belongs to the benzenesulfinate family. It is classified as a skin sensitizer and presents chronic aquatic toxicity. The compound features two long tetradecoxycarbonyl chains attached to a benzenesulfinate core, making it a surfactant-like molecule with potential industrial applications.

What are the physicochemical properties of sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is typically a solid at room temperature due to its high molecular weight of 644.9 g/mol. The compound contains long aliphatic chains which suggest amphiphilic properties, likely making it partially soluble in both polar and non-polar solvents. Its sodium salt form indicates good water solubility under appropriate conditions. The presence of aromatic and aliphatic components suggests it may appear as a white to off-white solid with minimal odor.

What is sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate used for?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is primarily used as a specialty surfactant in industrial applications. Its amphiphilic structure makes it suitable for formulations requiring surface tension modification, emulsification, or dispersing properties. The compound may find applications in specialty coatings, textile processing, metalworking fluids, or as an intermediate in chemical synthesis. Its unique structure with long alkyl chains and sulfinate functionality provides specific performance characteristics in demanding industrial processes.

How to handle sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate safely?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate requires careful handling due to its skin sensitizing properties (Skin Sens. 1). Operators must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas and avoid generating dust. The compound carries the Warning signal word and GHS07 pictogram, indicating moderate hazard level. Wash hands thoroughly after handling and avoid eating, drinking, or smoking during use.

How to store sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate correctly?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed to prevent moisture absorption and contamination. Due to its aquatic chronic toxicity (Aquatic Chronic 2), ensure storage areas have appropriate containment measures to prevent environmental release. Store away from incompatible materials and oxidizing agents. Maintain storage temperature below 25°C when possible and ensure proper labeling according to GHS requirements.

What to do in case of contact with sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate?

In case of skin contact with sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. Due to its skin sensitizing properties, seek medical attention if irritation develops or persists. For eye contact, rinse immediately with plenty of clean water for 15 minutes and consult a physician. If inhaled, move to fresh air. In case of ingestion, rinse mouth and seek immediate medical advice.

How to dispose of sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate appropriately?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate must be disposed of in accordance with local, national, and EU waste regulations. Due to its aquatic chronic toxicity classification, prevent release to water systems and soil. The substance should be collected and disposed of through licensed hazardous waste contractors. Containers must be completely emptied and may require special treatment. Do not discharge to sewers or waterways. Consult local environmental authorities for specific disposal requirements and approved treatment facilities.

How to transport sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating it presents relatively low transport risk. Packages must comply with ADR regulations for Class 9 substances including proper labeling with GHS07 and GHS09 pictograms and Warning signal word. Use appropriate packaging materials and ensure containers are properly sealed and labeled. Transport documentation must include the correct shipping name, UN number, and hazard class information.

Is sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate subject to specific regulations?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is subject to standard EU chemical regulations including REACH and CLP. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must be classified and labeled according to CLP regulation with appropriate hazard statements for skin sensitization and aquatic chronic toxicity. Users must comply with workplace safety regulations and ensure proper risk assessments are conducted. Registration under REACH may be required depending on import/manufacture volumes.

Where to buy sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate in Europe?

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this specialty chemical compound to industrial customers across Europe with proper documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with all relevant European regulations and provides technical support for safe handling and application. Contact OYSI directly for availability, specifications, and pricing information for your specific requirements.

Data Sources

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