[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite

C19H26O4S

CAS2312-35-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
2312-35-8
EC Number
219-006-1
UN Number
3082
Index Number
607-151-00-7
PubChem CID
4936

Physical-chemical properties

Molecular Formula
C19H26O4S
Molar Mass
350.50 g/mol
IUPAC Name
[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite

Chemical Identifiers

InChI
InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
InChI Key
ZYHMJXZULPZUED-UHFFFAOYSA-N

Overview

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite (CAS 2312-35-8) is an organosulfur compound with significant industrial applications and notable hazard classifications. This specialized chemical compound features a complex molecular structure combining a cyclohexyl ring system with a tert-butylphenoxy group and a propynyl sulfite ester functionality. With a molecular formula of C19H26O4S and molecular weight of 350.5 g/mol, this substance represents an important class of sulfite esters used in various technical applications. The compound is officially registered under EC number 219-006-1 and classified as ADR Class 9 for transportation purposes. From a safety perspective, [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite carries significant hazard classifications including Category 2 carcinogenicity, acute toxicity, skin irritation, and severe eye damage potential. The substance also presents environmental concerns with both acute and chronic aquatic toxicity ratings. These properties require careful handling protocols and appropriate personal protective equipment during industrial use. The compound finds primary applications in specialized chemical synthesis processes, particularly as an intermediate in the production of advanced materials and specialty chemicals. Its unique sulfite ester structure makes it valuable in certain polymer modification processes and as a reactive component in formulated products. Unlike structurally different compounds such as 2-(trichloromethylsulfanyl)isoindole-1,3-dione, this sulfite ester offers distinct reactivity patterns suitable for specific industrial requirements. Industrial users also employ this compound in select pharmaceutical intermediate synthesis and specialty coating applications where its particular molecular architecture provides desired performance characteristics. OYSI maintains reliable supply capabilities for [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Carc. 2; Acute Tox. 3 *; Skin Irrit. 2; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H331

Toxic if inhaled.

H315

Causes skin irritation.

H318

Causes serious eye damage.

H400

Very toxic to aquatic life.

H410

Very 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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 NamePropargit (ISO)
Marine PollutantNo

Frequently Asked Questions

What is [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is an organosulfur chemical compound with the molecular formula C19H26O4S and CAS number 2312-35-8. This substance has a molecular weight of 350.5 g/mol and features a complex structure combining a cyclohexyl ring, a tert-butylphenoxy group, and a propynyl sulfite moiety. It is classified as a hazardous substance requiring careful handling due to its carcinogenic potential and toxicity profile.

What are the physicochemical properties of [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is an organic compound with a molecular weight of 350.5 g/mol and molecular formula C19H26O4S. As an organosulfur compound containing both aromatic and aliphatic components, it likely exists as a liquid or solid at room temperature. The presence of the phenoxy and sulfite groups suggests limited water solubility but good solubility in organic solvents. Specific physical properties should be confirmed through technical documentation.

What is [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite used for?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is primarily used as a chemical intermediate in organic synthesis and specialized industrial applications. Its unique molecular structure makes it valuable in pharmaceutical research, agrochemical development, and advanced materials synthesis. The compound may also serve as a building block for more complex molecules in chemical manufacturing. Due to its hazardous classification, its use is restricted to professional industrial settings with appropriate safety measures.

How to handle [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite safely?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite requires strict safety protocols due to its Acute Toxicity 3 and Carcinogenic Category 2 classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin and eye contact, inhalation, and ingestion. Emergency procedures and safety data sheets must be readily available, and only trained personnel should handle this substance.

How to store [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite correctly?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite must be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Storage areas should be secure and restricted to authorized personnel only. Given its carcinogenic classification and aquatic toxicity, prevent environmental release and ensure secondary containment. Store separately from oxidizing agents, bases, and reactive chemicals following chemical compatibility guidelines.

What to do in case of contact with [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite?

Immediate action is required for contact with [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite due to its toxic and irritating properties. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention promptly in all cases, especially given the substance's carcinogenic potential.

How to dispose of [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite appropriately?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite must be disposed of as hazardous waste through licensed waste disposal companies due to its carcinogenic and aquatic toxicity classifications. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Never discharge to sewers, soil, or water bodies. Container disposal should follow the same hazardous waste protocols. Maintain proper documentation for waste tracking and regulatory compliance.

How to transport [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. Transport must comply with ADR regulations including proper packaging, labeling with appropriate hazard pictogrammes (GHS08, GHS06, GHS05, GHS09), and documentation. Vehicles must carry appropriate emergency equipment and drivers require ADR training. Ensure packages are secure, properly sealed, and accompanied by transport documents and safety data sheets.

Is [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite subject to specific regulations?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. The substance carries mandatory hazard classifications for carcinogenicity, acute toxicity, skin irritation, eye damage, and aquatic toxicity. While not currently listed as a Substance of Very High Concern (SVHC), its carcinogenic properties may trigger additional regulatory scrutiny. Manufacturers and users must comply with occupational exposure limits and environmental protection requirements.

Where to buy [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite in Europe?

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides comprehensive regulatory compliance support, technical documentation, and professional handling guidance for this hazardous substance. As a regulated chemical requiring specialized handling and safety measures, purchase is restricted to qualified industrial users with appropriate facilities and training. Contact OYSI for availability, technical specifications, and regulatory compliance assistance.

Data Sources

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