[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

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

Our experts support you with application, dosage, and compliance.

Request Consultation

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 phenoxy ether functionality and alkyne reactive groups. This specialized chemical compound represents a complex organosulfur derivative featuring a distinctive molecular architecture that combines cyclohexyl, phenoxy, and propargyl structural elements. With its molecular formula C19H26O4S and molecular weight of 350.5 g/mol, this substance exhibits unique chemical properties derived from its sulfite ester linkage and terminal alkyne functionality. The presence of the tert-butyl substituent on the phenoxy ring enhances its stability and influences its reactivity profile. The compound presents significant safety considerations, classified as a Category 2 carcinogen with acute toxicity properties. Its hazard profile includes skin irritation potential, serious eye damage capability, and notable aquatic toxicity, requiring specialized handling protocols and appropriate personal protective equipment. The GHS classification encompasses health hazards (GHS08, GHS06), corrosive properties (GHS05), and environmental concerns (GHS09), necessitating transport under ADR Class 9 miscellaneous dangerous goods regulations. Industrial applications typically involve its use as a specialized intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing where its unique structural features provide valuable synthetic pathways. The compound also finds application in materials science research and as a reactive component in specialty polymer formulations. Unlike simpler organosulfur compounds such as 2-(trichloromethylsulfanyl)isoindole-1,3-dione, this molecule offers enhanced selectivity in targeted chemical transformations. OYSI maintains reliable supply chains for this technical-grade compound, supporting European industrial customers with consistent quality and regulatory compliance documentation for specialized chemical manufacturing applications.

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 compound with the molecular formula C19H26O4S and CAS number 2312-35-8. This chemical substance has a molecular weight of 350.5 g/mol and features a complex structure combining a tert-butylphenoxy group, a cyclohexyl ring, and a propynyl sulfite moiety. It is classified as a hazardous substance with multiple danger classifications including carcinogenic, acute toxicity, and environmental hazards.

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

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite has a molecular weight of 350.5 g/mol and molecular formula C19H26O4S. As an organosulfur compound with both aromatic and aliphatic components, it likely exhibits moderate to low water solubility due to its hydrophobic tert-butylphenoxy group. The presence of the sulfite ester group makes it potentially sensitive to hydrolysis. Specific physical properties such as melting point, boiling point, and exact solubility parameters should be confirmed through technical data sheets.

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

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite is typically used as a chemical intermediate in organic synthesis and potentially in specialized industrial applications. Its unique structure containing both aromatic and alkyne functionalities makes it valuable for pharmaceutical intermediates, agrochemical synthesis, or specialty chemical manufacturing. The specific applications depend on its reactivity profile and the intended end-use products. Industrial users should consult with suppliers for detailed application guidance and compatibility information.

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

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite must be handled with extreme caution due to its Danger signal word and multiple hazard classifications. Essential PPE includes chemical-resistant gloves, safety goggles or face shield, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction systems. Avoid inhalation, ingestion, and skin/eye contact. Due to its carcinogenic (Category 2) and acute toxicity classifications, implement strict containment procedures and ensure all personnel are trained in proper handling techniques.

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

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use original containers with proper labeling and ensure secondary containment. Due to its environmental hazards (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release. Store separately from incompatible materials and oxidizing agents. Implement access controls due to carcinogenic properties. Regular inventory checks and proper waste management procedures are essential for safe storage operations.

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

Immediate action is required for any contact with [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite. For skin contact: Remove contaminated clothing immediately and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact: Flush immediately with copious amounts of water for at least 15 minutes and seek immediate medical attention due to Eye Dam. 1 classification. If inhaled: Move to fresh air immediately. Seek medical attention promptly for all exposures, informing healthcare providers of the substance's carcinogenic and toxic properties.

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 management contractors due to its carcinogenic, toxic, and environmental hazard classifications. Never discharge to sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow local and national regulations for hazardous waste disposal, including proper packaging, labeling, and documentation. Incineration at high temperatures by specialized facilities is typically the preferred disposal method for such organic compounds.

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 purposes. It requires proper dangerous goods packaging, marking, labeling with appropriate GHS pictogrammes (GHS08, GHS06, GHS05, GHS09), and documentation including transport documents and safety data sheets. Vehicles must comply with ADR regulations for Class 9 substances. Professional carriers experienced in hazardous materials transport should be used to ensure regulatory compliance and safety during transit.

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 chemical regulations including REACH registration requirements for manufacture/import in the EU, and CLP regulation for classification and labeling. While not currently listed as SVHC, its Carc. 2 classification subjects it to strict occupational exposure controls and potential authorization requirements. Users must maintain safety data sheets, implement risk management measures, and comply with workplace exposure limits. Additional restrictions may apply depending on specific uses and quantities handled.

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 professional-grade chemicals with proper regulatory documentation, safety data sheets, and technical support for industrial applications. As a hazardous substance requiring specialized handling and regulatory compliance, purchasing through established chemical distributors ensures product quality, proper packaging, and adherence to transportation regulations. Contact OYSI directly for availability, specifications, and technical consultation regarding this specialized chemical compound.

Data Sources

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