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 organic sulfinic acid derivative with long-chain alkyl ester substituents and surface-active properties. This specialized chemical compound belongs to the family of aromatic sulfinic acids, characterized by its unique molecular structure featuring a benzene ring substituted with two tetradecoxycarbonyl groups at positions 3 and 5, along with a sulfinic acid functional group. With a molecular formula of C36H62O6S and a molecular weight of 622.9 g/mol, this compound exhibits distinctive properties due to its amphiphilic nature, combining hydrophilic sulfinic acid functionality with lipophilic long-chain ester groups. The compound presents specific safety considerations, classified as a skin sensitizer (Skin Sens. 1) and showing chronic aquatic toxicity (Aquatic Chronic 2), requiring appropriate handling precautions. The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Industrial applications for 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid typically include use as a specialty surfactant in formulations requiring controlled surface tension properties, as an intermediate in the synthesis of advanced materials, and as a processing aid in polymer applications. Unlike simpler compounds such as ethyl 6,8-dichlorooctanoate, this molecule's complex structure provides enhanced performance characteristics in specialized formulations. The compound's dual ester functionality and sulfinic acid group make it particularly valuable in applications requiring both surface modification and chemical reactivity. OYSI maintains reliable supply chains for this specialty chemical to serve European industrial customers requiring consistent quality and regulatory compliance.

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 organic compound with CAS number 141915-64-2 and molecular formula C36H62O6S. This sulfinic acid derivative features a benzene ring substituted with two tetradecoxycarbonyl groups and one sulfinic acid group. With a molecular weight of 622.9 g/mol, it belongs to the class of aromatic sulfinic acids with long alkyl chain esters, making it potentially useful in specialty chemical applications.

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

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is a high molecular weight organic compound (622.9 g/mol) containing both hydrophilic sulfinic acid and hydrophobic long-chain ester functionalities. The presence of two tetradecoxycarbonyl groups (C14 chains) suggests it may exhibit surfactant-like properties with limited water solubility. The compound's physical state, exact melting point, and detailed solubility parameters would require specific analytical characterization for precise determination.

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

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is primarily used as a specialty chemical intermediate in organic synthesis and materials science applications. Its unique structure combining sulfinic acid functionality with long alkyl chains makes it potentially valuable in surfactant formulations, polymer synthesis, or as a chemical building block. The compound may also find applications in research and development for specialized industrial processes requiring specific chemical properties.

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

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid requires careful handling due to its skin sensitization potential (Skin Sens. 1). Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume hoods. Avoid generating dust or aerosols, and ensure proper hygiene practices including thorough handwashing after handling to prevent sensitization reactions.

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

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Given its sulfinic acid functionality, avoid storage near strong oxidizing agents or bases that could cause unwanted reactions. Maintain storage temperatures below 25°C when possible and ensure containers are properly labeled with hazard information. Keep away from incompatible materials and food/feed areas.

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

Immediate skin contact with 3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid requires prompt action due to its sensitization potential. Remove contaminated clothing and wash affected skin thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If irritation persists or allergic reactions develop, seek medical attention promptly. Never induce vomiting if ingested - rinse mouth and seek immediate medical advice.

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

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid disposal must comply with local, national, and EU waste regulations due to its environmental hazard classification (Aquatic Chronic 2). The compound should be collected as hazardous chemical waste and disposed of through licensed waste management facilities. Never discharge into drains, soil, or water bodies. Contaminated packaging should also be treated as hazardous waste. Contact certified waste disposal companies for proper treatment and disposal according to applicable environmental regulations.

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 transportation. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Packages must display Class 9 labels and proper shipping names. Transport should only be conducted by qualified personnel familiar with hazardous materials handling. Ensure vehicles are properly equipped and drivers hold appropriate dangerous goods transport certifications.

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

3,5-bis(tetradecoxycarbonyl)benzenesulfinic acid is subject to EU CLP Regulation requiring classification as Skin Sens. 1 and Aquatic Chronic 2 with Warning signal word and GHS07/GHS09 pictograms. The compound is not currently listed as an SVHC under REACH regulation. However, it must comply with standard REACH registration requirements if manufactured or imported above tonnage thresholds. Users must follow workplace safety regulations and environmental protection measures due to its hazard profile.

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 reliable supply of specialty chemicals with proper documentation, safety data sheets, and regulatory compliance support. As experienced chemical distributors, OYSI ensures product quality, appropriate packaging, and adherence to transportation regulations. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements in the European market.

Data Sources

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