PRODUCTS

1,4-BUTYNEDIOL

1,4-Butynediol is a colorless to slightly yellow solid, soluble in water and polar organic solvents, and is a commercially significant compound used as a precursor to other products and in various industrial applications.
1,4-Butynediol is used in the manufacturing of pesticides, corrosion inhibitors, plasticizers, synthetic resins, and polyurethanes, and is also a major raw material for the synthesis of vitamin B6.
1,4-Butynediol is involved in various chemical reactions, including cycloaddition and the synthesis of complex organic compounds, making it an important substance in organic chemistry and industrial processes.

CAS Number: 110-65-6
EC Number: 203-788-6
Molecular Formula: C4H6O2
Molecular Weight: 86.09 g/mol

Synonyms: But-2-yne-1,4-diol, Butynediol, 2-Butyne-1,4-diol, 1,4-Dihydroxy-2-butyne, 2-Butyne-1,4-diol, 110-65-6, But-2-yne-1,4-diol, 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), 1,4-Butinodiol, Butynediol-1,4, CAS-110-65-6, HSDB 2004, EINECS 203-788-6, UNII-AXH202FPQM, 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, AKOS000118736, UN 2716, NCGC00249014-01, NCGC00256535-01, NCGC00258836-01, 1,4-Butynediol [UN2716], 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, 2-butyne-1,4-diol, butynediol, 1,4-dihydroxy-2-butyne, 1,4-butynediol, bis hydroxymethyl acetylene, 2-butynediol, 2-butin-1,4-diol, agrisynth b3d, unii-axh202fpqm, 1,4-butynediol van, Bis(hydroxymethyl)acetylene, But-2-yne-1,4-diol, 1,4-Butynediol, 1,4-Dihydroxy-2-butyne, 2-Butynediol, Butynediol, 2-Butin-1,4-diol, UN 2716, 1,2-Dimethoxyacetylene, NSC 834, NSC 834, 2-Butynediol 2-Butyne-1,4-diol, Bis(hydroxymethyl)acetylene, UN 2716, 1,4-Dihydroxy-2-butyne, 2-Butynediol, But-2-yne-1,4-diol, Butynediol, Bis (hydroxymethyl) acetylene, 1,2-Dimethoxyacetylene, 1,4-Butynediol, 2-Butin-1,4-diol, 2-Butyne-1,4-diol, 1,4-Butynediol, Butynediol, Bis(hydroxymethyl)acetylene, 2-Butynediol, 1,4-Dihydroxy-2-butyne, NSC 834, BYD, BOZ, But-2-yne-1,4-diol, 1,4-BUTYNEDIOL, Butynediol, 2-BUTYN-1,4-DIOL, 2-Butin-1,4-diol, Dihydroxydimethylacetylene, 2-Butynediol, agrisynthb3d,

1,4-Butynediol is a colourless, hygroscopic solid that is soluble in water and polar organic solvents.
1,4-Butynediol is a commercially significant compound in its own right and as a precursor to other products.

1,4-Butynediol is a colorless to slightly yellow solid, and is almost odorless.
1,4-Butynediol is completely soluble with water in all proportions.

1,4-Butynediol is an organic compound that is an alkyne and a diol.
1,4-Butynediol is a colourless, hygroscopic solid that is soluble in water and polar organic solvents.

1,4-Butynediol is a commercially significant compound in its own right and as a precursor to other products.
1,4-Butynediol appears as white to light-brown solid or brownish-yellow aqueous solution.

1,4-Butynediol is solid sinks and mixes with water.
1,4-Butynediol is a butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.

1,4-Butynediol is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 000 tonnes per annum.
1,4-Butynediol is an organic compound combinding an alkyne and a dioland is a precursor to 1,4-Butanediol.

The Boiling point of 1,4-Butynediol is at 238°C and melting point at 52-55°C.
1,4-Butynediol is hygroscopic.

1,4-Butynediol is incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, strong acids and strong bases.
1,4-Butynediol is a butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.

1,4-Butynediol appears as white to light-brown solid or brownish-yellow aqueous solution.
1,4-Butynediol is water soluble.

1,4-Butynediol is an organic compound that is an alkyne and a diol.
This yellow crystalline solid, 1,4-Butynediol, is soluble in water and ethanol.

1,4-Butynediol is an organic compound from the alkyne and diol family .
1,4-Butynediol occurs as colorless to yellow crystals, extremely soluble in water and ethanol.

1,4-Butynediol appears as white to light-brown solid or brownish-yellow aqueous solution.
Solid sinks and mixes with water.

1,4-Butynediol is a butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.
1,4-Butynediol is an organic compound that is an alkyne and a diol.

But-2-yne-1,4-diol is obtained by Reppe synthesis, by reaction of acetylene (ethyne) with an aqueous solution of formaldehyde (methanal) under pressure (1,4-Butynediol was thus produced on a large scale from 1941) 7:
2 VSH2O + VS2H2⟶VS4H6O2

The reaction normally occurs at a temperature between 90 and 150 °C, depending on the pressure applied to the system which ranges from 1 to 20 bar 8.

Different patented production techniques use catalysts based on copper and bismuth, or even copper acetylide (I) 3.
Annual European production of butynediol is around 200,000 tonnes 3.

1,4-Butynediol is a colorless to slightly yellow solid, and is almost odorless.
1,4-Butynediol is completely soluble with water in all proportions.
1,4-Butynediol is an organic compound combinding an alkyne and a dioland is a precursor to 1,4-Butanediol.

1,4-Butynediol 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.

Applications of 1,4-Butynediol:
1,4-Butynediol is transformed by hydrogenation into but-2-ene-1,4-diol and butane-1,4-diol.
1,4-Butynediol is also a precursor of vitamin B6.

1,4-Butynediol is also used in the manufacture of medicines, pesticides , herbicides , flame retardants , anti-corrosion agents , plasticizers , synthetic resins and polyurethanes.
1,4-Butynediol is used in galvanizing processes (by nickel or copper ), and to shine and preserve nickel plating.

1,4-Butynediol is extensively used in the cycloaddition reactions such as the homologation method for the preparation of substituted acenes, rhodium and iridium-catalyzed [2+ 2+ 2] inter and intramolecular cyclotrimerization.
1,4-Butynediol can also be used in the total synthesis of (−)-isolaurallene, (−)-amphidinolide P and bistramide A.

1,4-Butynediol is a precursor to 1,4-butanediol and 2-butene-1,4-diol by hydrogenation.
1,4-Butynediol is also used in the manufacture of certain herbicides, textile additives, corrosion inhibitors, plasticizers, synthetic resins, and polyurethanes.

1,4-Butynediol is the major raw material used in the synthesis of vitamin B6.
1,4-Butynediol is also used for brightening, preserving, and inhibiting nickel plating.
1,4-Butynediol reacts with a mixture of chlorine and hydrochloric acid to give mucochloric acid, HO2CC(Cl)=C(Cl)CHO (see mucobromic acid).

Uses of 1,4-Butynediol:
1,4-Butynediol is used primarily in the synthesis of organic compounds.
1,4-Butynediol is a colorless, hygroscopic solid that is soluble in water and polar organic solvents.
1,4-Butynediol is used basic brightener in nickel electroplating baths, also an important intermediate for organic synthesis; corrosion inhibitor; defoliant ; polymerization accelerator; stabilizer for chlorinated hydrocarbons; cosolvent for paint and varnish removal.

1,4-Butynediol is used by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.
1,4-Butynediol is used in the following products: washing & cleaning products, coating products, metal surface treatment products and laboratory chemicals.

1,4-Butynediol is used for the manufacture of: metals, fabricated metal products and electrical, electronic and optical equipment.
Other release to the environment of 1,4-Butynediol is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use.

1,4-Butynediol is used in the following products: washing & cleaning products, water treatment chemicals, pH regulators and water treatment products, coating products and metal surface treatment products.
1,4-Butynediol has an industrial use resulting in manufacture of another substance (use of intermediates).

Release to the environment of 1,4-Butynediol can occur from industrial use: formulation of mixtures.
1,4-Butynediol is used in the following products: metal surface treatment products, washing & cleaning products, coating products and laboratory chemicals.

1,4-Butynediol is used for the manufacture of: fabricated metal products, electrical, electronic and optical equipment, chemicals.
Release to the environment of 1,4-Butynediol can occur from industrial use: in processing aids at industrial sites and as an intermediate step in further manufacturing of another substance (use of intermediates).

Release to the environment of 1,4-Butynediol can occur from industrial use: manufacturing of the substance.
1,4-Butynediol is a precursor to 1,4-butanediol and 2-butene-1,4-diol by hydrogenation.

1,4-Butynediol is also used in the manufacture of certain herbicides, textile additives, corrosion inhibitors, plasticizers, synthetic resins, and polyurethanes.
1,4-Butynediol is the major raw material used in the synthesis of vitamin B6.

1,4-Butynediol is also used for brightening, preserving, and inhibiting nickel plating.
1,4-Butynediol reacts with a mixture of chlorine and hydrochloric acid to give mucochloric acid, HO2CC(Cl)=C(Cl)CHO (see mucobromic acid).

1,4-Butynediol is used as a precursor to prepare 1,4-butanediol, 2-butene-1,4-diol and mucochloric acid.
1,4-Butynediol is also used in textile additives, corrosion inhibitors, plasticizers, synthetic resins and polyurethanes.

1,4-Butynediol is an important raw material of vitamin B6.
Further, 1,4-Butynediol is used for brightening, preserving and inhibiting nickel plating.

In addition, 1,4-Butynediol is used in biological studies for nematocidal activity.
1,4-Butynediol is mainly used in the manufacturing of pesticides, corrosion inhibitors, plasticizers, synthetic resins and polyurethanes.

1,4-Butynediol is an important raw material of vitamin B6.
Further, 1,4-Butynediol is used for brightening, preserving and inhibiting nickel plating.

In addition, 1,4-Butynediol is used in biological studies for nematocidal activity.
1,4-Butynediol is used to produce butanedioland butenediol, in metal plating andpickling baths, and in making the carbamateherbicide Barban (Carbyne).

1,4-Butynediol is a precursor to 1,4-butanediol.
1,4-Butynediol is also used in the manufacture of plant protection agents, pesticides, textile additives, corrosion inhibitors, platicizers, synthetic resins, and polyurethanes.

1,4-Butynediol is used in biological studies for nematocidal activity.
1,4-Butynediol uses and applications include: Corrosion inhibitor in acid pickles and cleaners; pharmaceuticals intermediate; electroplating brightener; defoliant; polymerization accelerator; stabilizer for chlorinated hydrocarbons; cosolvent for paint and varnish removal; synthesis of histamine and pyridoxine; alternative route for vitamin B6; emulsifier Suggested storage of 1,4-Butynediol: Hygroscopic

Functions of 1,4-Butynediol:
Emulsifier,
Accelerator,
Acid,
Stabilizer

Chemical Properties of 1,4-Butynediol:
1,4-Butynediol is a yellow solid.
1,4-Butynediol is soluble in water, acidic solution, ethanol and acetone, slightly soluble in chloroform, insoluble in benzene and ether.

Solubility of 1,4-Butynediol:
1,4-Butynediol is soluble in water, ethanol, acetone, methanol.
1,4-Butynediol is slightly soluble in ethyl ether and chloroform.
1,4-Butynediol is insoluble in benzene.

Synthesis of 1,4-Butynediol:

1,4-Butynediol can be produced in the Reppe synthesis, where formaldehyde and acetylene are the reactants:
2 CH2O + HCCH → HOCH2CCCH2OH

Several patented production methods use copper bismuth catalysts coated on an inert material.
The normal temperature range for the reaction is 90°C up to 150°C, depending on the pressure used for the reaction which can range from 1 to 20 bar.

Handling And Storage of 1,4-Butynediol:

Precautions for safe handling:

Advice on safe handling:
Work under hood.

Hygiene measures:
Immediately change contaminated clothing.
Wash hands and face after working with substance.

Conditions for safe storage, including any incompatibilities:

Storage:
1,4-Butynediol can be stored in steel, aluminum, nickel, glass, epoxy, and phenolic liner containers.
Rubber hose may be used for transfer.
Avoid contact with heavy metal salt contaminants.

Storage conditions:
Tightly closed.
Dry.
Keep in a well-ventilated place.
Keep locked up or in an area accessible
Only to qualified or authorized persons.
Air and moisture sensitive.
Handle and store under inert gas.

Stability And Reactivity of 1,4-Butynediol:
Pure 1,4-Butynediol is non-explosvie.
Small amounts of certain impurities-alkali hydroxides, alkaline earth hydroxides, halides-may cause explosive decomposition upon distillation.

1,4-Butynediol should not be treated with basic catalysts in the absence of a solvent at room temperature, and 1,4-Butynediol's stability is less with elevated temperatures.
In strong acids, contamination with mercury salts can also result in violent decomposition

Chemical stability:
1,4-Butynediol is chemically stable under standard ambient conditions (room temperature).

Incompatible materials:
No data available

First Aid Measures of 1,4-Butynediol:

General advice:
First aiders need to protect themselves.

If inhaled:

After inhalation:
Fresh air.
Immediately call in physician.

In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
Call a physician immediately.

In case of eye contact:

After eye contact:
Rinse out with plenty of water.
Immediately call in ophthalmologist.
Remove contact lenses.

If swallowed:
Give water to drink (two glasses at most).
Seek medical advice immediately.

Indication of any immediate medical attention and special treatment needed:
No data available

Fire Fighting Measures of 1,4-Butynediol:

Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder

Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.

Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

Accidental Release Measures of 1,4-Butynediol:

Environmental precautions:
Do not let product enter drains.

Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up carefully.
Dispose of properly.
Clean up affected area.

Exposure Controls/Personal Protection of 1,4-Butynediol:

Personal protective equipment:

Eye/face protection:
Use equipment for eye protection.
Tightly fitting safety goggles

Skin protection:

Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min

Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min

Body Protection:
protective clothing

Respiratory protection:
Recommended Filter type: Filter type P3

Control of environmental exposure:
Do not let product enter drains.

Identifiers of 1,4-Butynediol:
CAS number: 110-65-6
EC index number: 603-076-00-9
EC number: 203-788-6
Hill Formula: C₄H₆O₂
Molar Mass: 86.09 g/mol
HS Code: 2905 39 90

Molecular Weight:86.09 g/mol
Beilstein Number: 1071237
MDL: MFCD00002915
XlogP3-AA: -1.10 (est)
Molecular Weight: 86.09022000
Formula: C4 H6 O2
Appearance: pale brown to brownish-yellow solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 50.00 °C. @ 760.00 mm Hg
Boiling Point: 238.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 306.00 °F. TCC ( 152.22 °C. )
logP (o/w): 0.093 (est)
Soluble in: water, 7.958e+005 mg/L @ 25 °C (est)
CAS Min % 98.5
CAS Max % 100.0
Melting Point: 54.0°C to 58.0°C

EC Number：203-788-6
UNII：AXH202FPQM
ICSC Number：1733
NSC Number：834
UN Number：2716
DSSTox ID：DTXSID4021921
Color/Form：Plates from benzene and ethyl acetate
White, orthorhombic crystals
WHITE TO LIGHT YELLOW
Yellow scaley solid at 20 °C and 1,013 hPa
HScode：29053980
PSA：40.5
XLogP3：-0.73
Appearance：slightly brown Crystalline Platelets or Flakes
Density：1.1
Melting Point：58 °C

Properties of 1,4-Butynediol:
Chemical formula: C4H6O2
Molar mass: 86.090 g·mol−1
Appearance: Colorless crystalline solid
Density: 1.11 g/cm3 (at 20 °C)
Melting point: 58 °C (136 °F; 331 K)
Boiling point: 238 °C (460 °F; 511 K)
Solubility in water: 3740 g/L

Molecular Weight: 86.09 g/mol
XLogP3-AA: -1.1
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 0
Exact Mass: 86.036779430 g/mol
Monoisotopic Mass: 86.036779430 g/mol
Topological Polar Surface Area: 40.5Å²
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 66
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Boiling point: 125 - 127 °C (3 hPa)
Density: 1.04 - 1.05 g/cm3 (20 °C)
Flash point: 152 °C
Ignition temperature: 410 °C
Melting Point: 56 - 58 °C
pH value: 4 - 7.5 (100 g/l, H₂O, 23 °C)
Vapor pressure: Bulk density: 500 kg/m3
Solubility: 3740 g/l
Physical State :Solid
Solubility :Soluble in water (3740 mg/ml at 20° C),
alcohol, ether, benzene, and acetonez.
Storage :Desiccate at room temperature
Melting Point :53-58° C (lit.)
Boiling Point :238° C (lit.)
Density :1.04 g/cm3

Melting point: 54 °C
Boiling point: 238 °C(lit.)
Density: 1.2
vapor pressure: refractive index: 1.4804
Flash point: 306 °F
storage temp.: Store below +30°C.
solubility: 3740g/l
form: Crystalline Platelets or Flakes
pka: 12.72±0.10(Predicted)
color: slightly brown
PH: 4-7.5 (100g/l, H2O, 23℃)
Water Solubility: 3740 g/L (20 ºC)
BRN: 1071237
Exposure limits ACGIH: TWA 0.1 ppm; STEL 0.3 ppm
OSHA: TWA 0.75 ppm; STEL 2 ppm
NIOSH: IDLH 20 ppm; TWA 0.016 ppm; Ceiling 0.1 ppm
Stability: Stable.