3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid

C36H62O6S

CAS141915-64-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
141915-64-2
EC Number
407-990-7
UN Number
3077
Index Number
016-069-00-5
PubChem CID
15076628

Physical-chemical properties

Molecular Formula
C36H62O6S
Molar Mass
622.90 g/mol
IUPAC Name
3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid

Chemical Identifiers

InChI
InChI=1S/C36H62O6S/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)
InChI Key
VYKYDOPQYQKXDS-UHFFFAOYSA-N

Overview

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid (CAS 141915-64-2) is an aromatic sulfinic acid derivative with dual ester functionalities and notable surface-active properties. This specialized chemical compound belongs to the class of benzenesulfinic acid derivatives, characterized by its unique molecular structure featuring two long-chain tetradecyl ester groups positioned at the 3 and 5 positions of the benzene ring. With a molecular formula of C36H62O6S and molecular weight of 622.9 g/mol, this substance exhibits amphiphilic properties due to its combination of hydrophilic sulfinic acid functionality and lipophilic aliphatic chains. The compound's structure makes it particularly interesting for applications requiring both chemical reactivity and surface modification capabilities. From a safety perspective, 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is classified as a skin sensitizer (Skin Sens. 1) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2). The substance carries a "Warning" signal word and requires appropriate handling procedures including the use of personal protective equipment and controlled storage conditions. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), necessitating proper packaging and documentation protocols. The compound finds primary applications in specialty chemical synthesis, particularly as an intermediate in the production of surfactants and functional additives. Its unique structure also makes it valuable in polymer modification processes and as a coupling agent in various industrial formulations. Unlike simpler derivatives such as 2-phenylsulfanylaniline, this compound's dual ester functionality provides enhanced solubility characteristics in organic systems. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-purity sulfinic acid derivatives.

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 Name3,5-Bis(tetradecyloxycarbonyl)-benzensulfinsäure
Marine PollutantNo

Frequently Asked Questions

What is 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is an organosulfur compound with the molecular formula C36H62O6S and CAS number 141915-64-2. This chemical features a benzenesulfinic acid core structure substituted with two long-chain tetradecoxycarbonyl groups at positions 3 and 5. With a molecular weight of 622.9 g/mol, it belongs to the class of sulfinic acid derivatives and is classified as a skin sensitizer with moderate aquatic toxicity.

What are the physicochemical properties of 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is likely a solid at room temperature due to its high molecular weight and long alkyl chains. The compound contains both hydrophobic tetradecyl chains and polar sulfinic acid functionality, suggesting limited water solubility but potential solubility in organic solvents. The presence of ester linkages and the sulfinic acid group influences its chemical reactivity and stability under various conditions.

What is 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid used for?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is typically used as a specialty chemical intermediate in organic synthesis and potentially as a surfactant or emulsifier due to its amphiphilic structure. The compound may find applications in polymer chemistry, materials science, or as a building block for more complex molecules. Its long alkyl chains and reactive sulfinic acid group make it suitable for surface modification and specialty chemical formulations.

How to handle 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid safely?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid must be handled with appropriate personal protective equipment due to its skin sensitization potential. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume extraction systems. Avoid generating dust or aerosols. Wash hands thoroughly after handling and ensure emergency eyewash and shower facilities are readily accessible.

How to store 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid correctly?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid should be stored in a cool, dry place away from heat sources and incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Store away from strong oxidizing agents and bases that could react with the sulfinic acid group. Maintain storage temperatures below 25°C if possible and ensure adequate ventilation in storage areas. Use original labeled containers and implement proper inventory rotation.

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

In case of skin contact with 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid, immediately remove contaminated clothing and wash affected areas with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or allergic reactions develop, as this compound is a known skin sensitizer.

How to dispose of 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid appropriately?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid must be disposed of through licensed hazardous waste contractors in accordance with local and European waste regulations. Do not discharge to sewers, waterways, or soil due to its aquatic toxicity classification. Small quantities may be suitable for high-temperature incineration at authorized facilities. Contaminated packaging should be treated as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved waste management companies.

How to transport 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. Use appropriate UN-specification packaging and ensure proper labeling with Class 9 hazard labels. Transport documents must include the correct shipping name and UN number. Vehicles should carry appropriate emergency equipment and drivers must hold valid dangerous goods training certificates. Follow ADR regulations for loading, segregation, and route restrictions.

Is 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid subject to particular regulations?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is subject to European REACH and CLP regulations requiring registration and classification as Skin Sens. 1 and Aquatic Chronic 2. It is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide Safety Data Sheets and appropriate hazard labeling with Warning signal word and GHS07/GHS09 pictograms. Industrial users must implement appropriate risk management measures and comply with occupational exposure limits where established.

Where to buy 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid in Europe?

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this specialty chemical compound with full regulatory compliance including proper CLP labeling and Safety Data Sheets. As a professional chemical distributor, OYSI ensures product quality, regulatory compliance, and reliable supply chains across Europe. Contact OYSI directly for availability, technical specifications, and pricing information for your specific application requirements.

Data Sources

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