But-2-yne-1,4-diol

C4H6O2

but-2-yne-1,4-diol

CAS110-65-6
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

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Identification

CAS Number
110-65-6
EC Number
203-788-6
UN Number
2716
Index Number
603-076-00-9
PubChem CID
8066

Physical-chemical properties

Molecular Formula
C4H6O2
Molar Mass
86.09 g/mol
IUPAC Name
but-2-yne-1,4-diol

Chemical Identifiers

InChI
InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChI Key
DLDJFQGPPSQZKI-UHFFFAOYSA-N

Overview

But-2-yne-1,4-diol (CAS 110-65-6) is an acetylenic diol compound with two terminal hydroxyl groups and a triple bond structure. This specialized organic compound, also known by its IUPAC designation but-2-yne-1,4-diol, represents an important class of acetylenic alcohols characterized by its unique molecular structure featuring both alkyne and diol functionalities. With the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol, this compound exhibits distinctive chemical properties that make it valuable in various industrial applications while requiring careful handling due to its significant safety considerations. The presence of both hydroxyl groups and the central acetylenic bond provides but-2-yne-1,4-diol with versatile reactivity patterns, enabling its use as a building block in organic synthesis and specialized chemical processes. However, this compound presents serious safety concerns, classified under multiple acute toxicity categories and exhibiting skin corrosive properties (Skin Corr. 1B) along with skin sensitization potential. The GHS pictograms GHS06, GHS08, and GHS05 indicate its toxic, health hazard, and corrosive nature respectively, necessitating stringent safety protocols during handling and storage. In industrial applications, but-2-yne-1,4-diol serves primarily as an intermediate in organic synthesis, particularly in the production of specialty chemicals and pharmaceutical precursors. Its acetylenic structure makes it valuable in polymerization processes and as a cross-linking agent in certain polymer formulations. The compound also finds application in the synthesis of heterocyclic compounds, where its dual functionality proves advantageous. Unlike simpler halogenated compounds such as chloromethylbenzene, but-2-yne-1,4-diol offers unique synthetic pathways due to its acetylenic diol structure. OYSI maintains reliable supply chains for but-2-yne-1,4-diol, ensuring consistent availability for European industrial customers requiring this specialized acetylenic compound.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 4 *; Acute Tox. 3 *; STOT RE 2 *; Skin Corr. 1B; Skin Sens. 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H312

Harmful in contact with skin.

H301

Toxic if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

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

Harmful

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:

Ingestion

Toxic

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number2716
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameButin-1,4-diol, fest
Marine PollutantNo

Frequently Asked Questions

What is but-2-yne-1,4-diol?

But-2-yne-1,4-diol is an organic chemical compound with the molecular formula C4H6O2 and CAS number 110-65-6. This diol features a triple bond between carbon atoms 2 and 3, with hydroxyl groups at both terminal positions. With a molecular weight of 86.09 g/mol, it belongs to the alkyne diol family and serves as an important intermediate in organic synthesis and industrial applications.

What are the physicochemical properties of but-2-yne-1,4-diol?

But-2-yne-1,4-diol is typically a crystalline solid at room temperature with high water solubility due to its two hydroxyl groups. The compound exhibits polar characteristics, making it miscible with polar solvents. Its triple bond configuration provides unique reactivity compared to saturated diols. The substance has specific melting and boiling points that facilitate its purification and handling in industrial processes.

What is but-2-yne-1,4-diol used for?

But-2-yne-1,4-diol serves as a key intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. It is utilized in polymerization reactions, as a building block for complex organic molecules, and in the manufacture of corrosion inhibitors. The compound also finds applications in electroplating baths and as a precursor for various industrial chemical processes requiring alkyne functionality.

How to handle but-2-yne-1,4-diol safely?

But-2-yne-1,4-diol requires careful handling due to its corrosive and toxic properties. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Use appropriate tools to prevent direct contact, and ensure emergency shower and eyewash stations are accessible. Follow strict hygiene protocols and never eat, drink, or smoke while handling.

How to store but-2-yne-1,4-diol correctly?

But-2-yne-1,4-diol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled with hazard information. Store separately from strong oxidizing agents, bases, and reactive metals. Maintain storage temperature within recommended ranges and regularly inspect containers for signs of deterioration or leakage. Implement appropriate spill containment measures in storage areas.

What to do in case of contact with but-2-yne-1,4-diol?

In case of skin contact with but-2-yne-1,4-diol, immediately remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. For eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical care. Always consult a physician after any exposure incident.

How to dispose of but-2-yne-1,4-diol appropriately?

But-2-yne-1,4-diol must be disposed of as hazardous waste according to local, national, and international regulations. Contact licensed waste disposal companies specialized in toxic chemical waste. Never discharge into sewers, water bodies, or soil. Small quantities may require neutralization before disposal, but this should only be performed by trained personnel. Maintain proper documentation of all disposal activities and follow waste tracking requirements.

How to transport but-2-yne-1,4-diol?

But-2-yne-1,4-diol is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation. Use appropriate UN-specification packaging marked with proper shipping names and hazard labels. Transport vehicles must display appropriate placards and carry emergency response information. Drivers require ADR certification for toxic materials. Ensure proper documentation including transport documents and emergency contact information accompanies all shipments.

Is but-2-yne-1,4-diol subject to specific regulations?

But-2-yne-1,4-diol is regulated under various chemical safety frameworks including REACH registration requirements in Europe and CLP classification for hazard communication. The substance is not currently listed as an SVHC (Substance of Very High Concern). Compliance with occupational exposure limits, proper labeling with GHS pictograms (GHS06, GHS08, GHS05), and safety data sheet provision are mandatory for commercial use and distribution.

Where to buy but-2-yne-1,4-diol in Europe?

But-2-yne-1,4-diol is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers with proper documentation, safety data sheets, and regulatory compliance support. The company ensures quality standards and proper packaging for safe delivery across Europe. Contact OYSI directly for availability, technical specifications, and pricing information tailored to your specific application requirements.

Data Sources

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