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DESCRIPTION:
2-butyne-1,4-diol appears as white to light-brown solid or brownish-yellow aqueous solution.
2-butyne-1,4-diol Solid sinks and mixes with water.
But-2-yne-1,4-diol is a butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.
CAS Number: 110-65-6
EC Number: 203-788-6
Linear Formula: HOCH2C≡CCH2OH
SYNONYM(S) OF 2-BUTYNE-1,4-DIOL
1,4-Butynediol, 1,4-Dihydroxy-2-butyne, 2-Butynediol, Bis(hydroxymethyl)acetylene,2-butin-1,4-diol,2-butyne-1,4-diol,2-Butyne-1,4-diol,110-65-6,But-2-yne-1,4-diol,Butynediol,1,4-Dihydroxy-2-butyne,1,4-BUTYNEDIOL,Bis(hydroxymethyl)acetylene,2-Butynediol,2-Butin-1,4-diol,NSC 834,DTXSID4021921,2-butyn-1,4-diol,1,4-Dimethoxyacetylene,AXH202FPQM,CHEBI:16413,NSC-834,Agrisynth B3D,DTXCID901921,1,4-Butynediol (VAN),Butynediol-1,4 [French],1,4-Butinodiol [Spanish],1,4-Butinodiol,Butynediol-1,4,CAS-110-65-6,2-Butin-1,4-diol [Czech],HSDB 2004,EINECS 203-788-6,UNII-AXH202FPQM,2-Butin-1,4-diol [Czechoslovakia],UN2716,BRN 1071237,AI3-61467,2-butyne-l,4-diol,but-2-yne-1,4diol,1,2-Dimethoxyacetylene,1,4Dihydroxy-2-butyne,2-butyne-1,4-di-ol,EC 203-788-6,WLN: Q2UU2Q,1,4-BUTYNE GLYCOL,4-01-00-02687 (Beilstein Handbook Reference),1,2-Dihydroxydimethylacetylene,NSC834,2-Butyne-1,4-diol, 99%,CHEMBL3187551,1,4-BUTYNEDIOL[HSDB],Tox21_201284,Tox21_302875,MFCD00002915,STL185542,AKOS000118736,UN 2716,NCGC00249014-01,NCGC00256535-01,NCGC00258836-01,1,4-Butynediol [UN2716] [Poison],B0749,NS00009569,EN300-19323,Butynediol 1,4-Butynediol 2-Butyne-1,4-diol,C02497,E78871,Q209328,J-002458,F0001-0223,InChI=1/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H,1,4-Butynediol; 1,4-Dihydroxy-2-butyne; 2-Butynediol;,Bis(hydroxymethyl)acetylene; Butynediol; NSC 834
2-Butyne-1,4-diol (BYD, BBD) is a colorless to slightly yellow solid, and is almost odorless.
2-butyne-1,4-diol is completely soluble with water in all proportions.
2-Butin-1,4-diol (BYD, BBD) is an organic compound combinding an alkyne and a dioland is a precursor to 1,4-Butanediol.
2-butyne-1,4-diol is mainly used in the manufacturing of pesticides, corrosion inhibitors, plasticizers, synthetic resins and polyurethanes.
The Boiling point of 2-Butin-1,4-diol (BYD, BBD) is at 238°C and melting point at 52-55°C.
2-Butyne-1,4-diol is used as a precursor to prepare 1,4-butanediol, 2-butene-1,4-diol and mucochloric acid.
2-butyne-1,4-diol is also used in textile additives, corrosion inhibitors, plasticizers, synthetic resins and polyurethanes.
2-butyne-1,4-diol is an important raw material of vitamin B6.
Further, 2-butyne-1,4-diol is used for brightening, preserving and inhibiting nickel plating.
In addition, 2-butyne-1,4-diol is used in biological studies for nematocidal activity.
APPLICATIONS OF 2-BUTYNE-1,4-DIOL
2-Butyne-1,4-diol is extensively used in the cycloaddition reactions such as the homologation method for the preparation of substituted acenes,[1] rhodium and iridium-catalyzed [2+ 2+ 2] inter and intramolecular cyclotrimerization.
2-butyne-1,4-diol can also be used in the total synthesis of (−)-isolaurallene[4], (−)-amphidinolide P[5] and bistramide A
CHEMICAL AND PHYSICAL PROPERTIES OF 2-BUTYNE-1,4-DIOL:
vapor pressure
<0.1 mmHg ( 55 °C)
Quality Level
200
Assay
99%
form
crystals
bp
238 °C (lit.)
mp
53-58 °C (lit.)
SMILES string
OCC#CCO
InChI
1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChI key
DLDJFQGPPSQZKI-UHFFFAOYSA-N
CAS Number:
110-65-6
Molecular Weight:
86.09
Beilstein:
1071237
EC Number:
203-788-6
MDL number:
MFCD00002915
UNSPSC Code:
12352100
PubChem Substance ID:
24891548
NACRES:
NA.22
Molecular Weight
86.09 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
XLogP3-AA
-1.1
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Hydrogen Bond Donor Count
2
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Hydrogen Bond Acceptor Count
2
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Rotatable Bond Count
0
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Exact Mass
86.036779430 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Monoisotopic Mass
86.036779430 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Topological Polar Surface Area
40.5Ų
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Heavy Atom Count
6
Computed by PubChem
Formal Charge
0
Computed by PubChem
Complexity
66
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Isotope Atom Count
0
Computed by PubChem
Defined Atom Stereocenter Count
0
Computed by PubChem
Undefined Atom Stereocenter Count
0
Computed by PubChem
Defined Bond Stereocenter Count
0
Computed by PubChem
Undefined Bond Stereocenter Count
0
Computed by PubChem
Covalently-Bonded Unit Count
1
Computed by PubChem
Compound Is Canonicalized
Yes
SAFETY INFORMATION ABOUT 2-BUTYNE-1,4-DIOL:
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:
If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.
If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.
Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.
Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.
Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials
Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.
Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.
If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.
Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product.
