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 featuring long-chain ester functionalities and benzenesulfinate structure. This specialized chemical intermediate belongs to the family of aromatic sulfinates, characterized by its distinctive molecular structure containing two tetradecyl ester groups positioned at the 3 and 5 positions of the benzene ring, along with a sulfinate group. With a molecular formula of C36H61NaO6S and molecular weight of 644.9 g/mol, this sodium salt exhibits properties typical of amphiphilic molecules due to its combination of hydrophilic sulfinate functionality and lipophilic long-chain alkyl components. The compound presents specific safety considerations, classified as Skin Sens. 1 indicating potential for skin sensitization, and Aquatic Chronic 2 reflecting moderate aquatic toxicity concerns. These classifications require appropriate handling procedures including personal protective equipment and controlled environmental release measures. The substance carries a Warning signal word with corresponding GHS07 and GHS09 pictograms, and falls under ADR Class 9 for transportation purposes. Industrial applications typically include its use as a surfactant intermediate in specialty formulations, where its amphiphilic properties prove valuable in emulsification processes. The compound also finds application in materials science as a processing aid for polymer modifications and in specialized coating formulations where surface-active properties are required. Unlike simpler esters such as ethyl 6,8-dichlorooctanoate, this sulfinate derivative offers unique interfacial properties due to its aromatic sulfur functionality. OYSI maintains reliable supply chains for sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

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 sodium salt features a benzenesulfinate core substituted with two long-chain tetradecoxycarbonyl groups at positions 3 and 5. With a molecular weight of 644.9 g/mol, it belongs to the class of specialty chemical intermediates used in various industrial applications.

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

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is a solid organic compound at room temperature with a molecular weight of 644.9 g/mol. The presence of long tetradecyl chains suggests limited water solubility but potential solubility in organic solvents. Its physical appearance, exact melting point, and specific solubility parameters would need to be determined through analytical testing as these properties are not standardly documented for this specialty chemical.

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

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is primarily used as a chemical intermediate in organic synthesis and specialty chemical manufacturing. Its structure suggests potential applications in surfactant production, polymer chemistry, or as a building block for more complex molecules. The compound may also find use in research and development for pharmaceutical or agrochemical intermediates, though specific industrial applications depend on the end-user's requirements.

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

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate requires careful handling as it is classified as a skin sensitizer (Skin Sens. 1). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid direct skin contact and inhalation. The compound carries a Warning signal word and requires adherence to standard chemical handling protocols.

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 incompatible materials. Keep containers tightly closed and properly labeled. Store away from sources of heat, sparks, and open flames. Given its aquatic toxicity classification (Aquatic Chronic 2), prevent environmental release and store in secondary containment. Follow standard protocols for organic chemicals and ensure compliance with local storage regulations.

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. For eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Given its skin sensitization potential, seek medical attention if irritation develops or persists. Always consult the safety data sheet for complete first aid instructions.

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

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate must be disposed of according to local, national, and international regulations for hazardous waste. Due to its aquatic toxicity classification, prevent environmental release during disposal. Contact licensed waste disposal companies for proper handling and incineration at authorized facilities. Do not discharge to sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste and disposed of through appropriate channels.

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

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires proper packaging, labeling with appropriate hazard markings, and accompanying transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. Packages must display the Class 9 diamond label and proper shipping name. Ensure compliance with international dangerous goods regulations for road, air, or sea transport.

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

Sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate is subject to REACH regulation in Europe, requiring registration for manufacture or import above threshold quantities. It is classified under CLP regulation with specific hazard classifications (Skin Sens. 1, Aquatic Chronic 2). The compound is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with occupational safety regulations and environmental protection requirements in their respective jurisdictions.

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 chemical products. OYSI provides reliable supply chains and technical support for specialty chemicals across European markets. Contact OYSI directly for availability, specifications, packaging options, and delivery arrangements. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this specialty compound throughout the European Union.

Data Sources

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