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110-63-4

110-63-4 Structure

110-63-4 Structure
IdentificationMore
[Name]

1,4-Butanediol
[CAS]

110-63-4
[Synonyms]

1,4-BUTANEDIOL
1,4-BUTYLENE GLYCOL
1,4-DIHYDROXYBUTANE
AKOS BBS-00004303
BDO
BUTANEDIOL, 1,4-
TETRAMETHYLENE GLYCOL
VERSALINK CURATIVE 1,4 BDO
1,4-BD
1,4-Tetramethylene
1,4-Tetramethylene glycol
1,4-tetramethyleneglycol
agrisynthb1d
butane,1,4-dihydroxy-
Butanediol
Butylene glycol
Dabco BDO
Diol 14B
diol14b
Sucol B
[EINECS(EC#)]

203-786-5
[Molecular Formula]

C4H10O2
[MDL Number]

MFCD00002968
[Molecular Weight]

90.12
[MOL File]

110-63-4.mol
Chemical PropertiesBack Directory
[Appearance]

viscous colourless liquid
[mp ]

20 °C
[Melting point ]

16 °C (lit.)
[Boiling point ]

230 °C (lit.)
[bp ]

230 °C(lit.)
[density ]

1.017 g/mL at 25 °C(lit.)
[vapor density ]

3.1 (vs air)
[vapor pressure ]

<0.1 hPa (20 °C)
[refractive index ]

n20/D 1.445(lit.)
[Fp ]

135 °C
[storage temp. ]

2-8°C
[pka]

14.73±0.10(Predicted)
[form ]

Liquid
[color ]

Clear colorless
[Odor]

Odorless
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
[PH]

7-8 (500g/l, H2O, 20℃)
[explosive limit]

1.95-18.3%(V)
[Water Solubility ]

Miscible
[Sensitive ]

Hygroscopic
[BRN ]

1633445
[InChIKey]

WERYXYBDKMZEQL-UHFFFAOYSA-N
[Uses]

butylene glycol is a solvent with good antimicrobial action. It enhances the preservative activity of parabens. Butylene glycol also serves as a humectant and viscosity controller, and to mask odor.
[CAS DataBase Reference]

110-63-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1,4-Butanediol(110-63-4)
[EPA Substance Registry System]

110-63-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

1
[RTECS ]

EK0525000
[Autoignition Temperature]

698 °F
[TSCA ]

Yes
[HS Code ]

29053980
[Safety Profile]

A human poison by an unspecified route. Moderately toxic byingestion and intraperitoneal routes. Human systemic effects: altered sleep time. Combustible when exposed to heat or flame. To fight fire, use alcohol foam, mist, foam, CO2, dry chemical. Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.
[Hazardous Substances Data]

110-63-4(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 1525 mg/kg LD50 dermal Rabbit > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Formaldehyde-->Nickel-->1,3-BUTADIENE-->Acetylene-->2,3-Butanedione-->2-Butyne-1,4-diol-->2-chloro-1,3-butadiene-->cis-1,4-Dichloro-2-butene-->3-hydroxy-2-methyl propionaldehyde-->DIMETHYL MALEATE-->2-HYDROXYTETRAHYDROFURAN
【Preparation Products】

Tetrahydrofuran-->Gamma Butyrolactone-->Polyurethane foams-->Triethylene glycol dimethacrylate-->1,4-Dibromobutane-->Poly(butylene terephthalate)-->GD visible light curing composite resin-->PolyesterPolyol-->2,3-Dihydrofuran-->1,4-BUTANEDIOL DIACRYLATE-->4-Hydroxybutyl acrylate-->Polyvinylpyrrolidone-->Busulfan-->Pyrrolidine
Hazard InformationBack Directory
[General Description]

Odorless colorless liquid or solid (depending upon temperature).
[Reactivity Profile]

1,4-BUTANEDIOL(110-63-4) is heat and light sensitive. This compound reacts with acid chlorides, acid anhydrides and chloroformates. 1,4-BUTANEDIOL(110-63-4) also reacts with oxidizing agents and reducing agents. 1,4-BUTANEDIOL(110-63-4) is incompatible with isocyanates and acids. 1,4-BUTANEDIOL(110-63-4) is also incompatible with peroxides, perchloric acid, sulfuric acid, hypochlorous acid, nitric acid, caustics, acetaldehyde, nitrogen peroxide and chlorine.
[Air & Water Reactions]

Highly flammable. This chemical is hygroscopic. Water soluble.
[Hazard]

Toxic by ingestion.
[Health Hazard]

Ingestion of large amounts needed to produce any symptoms.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 36, p. 2018, 1971 DOI: 10.1021/jo00813a043
Tetrahedron Letters, 33, p. 6371, 1992 DOI: 10.1016/S0040-4039(00)60976-0
[Fire Hazard]

Nonflammable liquid, flash point (open cup) 121°C.
[Purification Methods]

Distil the glycol and store it over Linde type 4A molecular sieves, or crystallise it twice from anhydrous diethyl ether/acetone, and redistil it. It has been recrystallised from the melt and doubly distilled in vacuo in the presence of Na2SO4. [Beilstein 1 IV 2515.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Dihydroxybutane(110-63-4).msds
Questions and Answers (Q&A)Back Directory
[Chemical Properties]

1,4-butanediol (1,4-BD) is a colorless, viscous liquid derived from butane by placement of alcohol groups at each end of its molecular chain and is one of four stable isomers of butanediol.the hydroxyl function of each end group of the Butanediol reacts with different mono- and bifunctional reagents: for example with dicarboxylic acids to polyesters, with diisocyanates to polyurethanes, or with phosgene to polycarbonates. 1.4-Butanediol (BDO) is a high-quality intermediate. BDO and its derivatives are widely used for producing plastics, solvents, electronic chemicals and elastic fibers. Additionally BDO is also a building block for the synthesis of polyesterpolyols and polyetherpolyols. BASF is the most significant producer of 1,4-Butanediol and its derivatives worldwide.
[Uses]

  1. Butanediol and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres.
  2. 1,4-Butanediol is used in the synthesis of epothilones, a new class of cancer drugs. Also used in the stereoselective synthesis of (-)-Brevisamide.
  3. 1,4-Butanediol's largest use is within tetrahydrofuran (THF) production, used to make polytetramethylene ether glycol, which goes mainly into spandex fibers, urethane elastomers, and copolyester ethers.
  4. It is commonly used as a solvent in the chemical industry to manufacture gamma-butyrolactone and elastic fibers like spandex.
  5. It is used as a cross-linking agent for thermoplastic urethanes, polyester plasticizers, paints and coatings.
  6. It undergoes dehydration in the presence of phosphoric acid yielded teterahydrofuran, which is an important solvent used for various applications.
  7. It acts an intermediate and is used to manufacture polytetramethylene ether glycol (PTMEG), polybutylene terephthalate (PBT) and polyurethane (PU).
  8. It finds application as an industrial cleaner and a glue remover.
  9. 1,4-butanediol is also used as a plasticiser (e.g. in polyesters and cellulosics), as a carrier solvent in printing ink, a cleaning agent, an adhesive (in leather, plastics, polyester laminates and polyurethane footwear), in agricultural and veterinary chemicals and in coatings (in paints, varnishes and films).
[Production Methods]

Methods of manufacturing:
The most prevalent 1,4-BD production route worldwide is BASF's Reppe process, which reacts acetylene and formaldehyde. Acetylene reacts with two equivalents of formaldehyde to form 1,4-butynediol, also known as but-2-yne- 1,4-diol. Hydrogenation of 1,4-butynediol gives 1,4-butanediol. 1,4-BD is also made on a large industrial scale by continuous hydrogenation of the 2-butyne- 1,4-diol over modified nickel catalysts. The one-stage flow process is carried out at 80 - 160 deg C and 300 bar.
Mitsubishi uses a three-step process:
(1) the catalytic reaction of butadiene and acetic acid yields 1,4-diacetoxy-2-butene;
(2) subsequent hydrogenation gives 1,4-diacetoxybutane; and
(3) hydrolysis leads to 1,4-butanediol.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Butanediol(110-63-4) MS
1,4-Butanediol(110-63-4) 13C NMR
1,4-Butanediol(110-63-4) 1H NMR
1,4-Butanediol(110-63-4) IR1
1,4-Butanediol(110-63-4) Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Butanediol, 99+%(110-63-4)
[Alfa Aesar]

1,4-Butanediol, 99%(110-63-4)
[Sigma Aldrich]

110-63-4(sigmaaldrich)
[TCI AMERICA]

1,4-Butanediol,>99.0%(GC)(110-63-4)
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