2,3-Butanediol

• CAS: 513-85-9
• Catalog Number: ACM513859
• Category: Other Products
• Molecular Weight: 90.12
• Molecular Formula: C4H10O2
• Description: Liquid;Solid;Solid
• Synonyms: Omega-butylene glycol
• IUPAC Name: Butane-2,3-diol
• Canonical SMILES: CC(C(C)O)O
• InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
• InChI Key: OWBTYPJTUOEWEK-UHFFFAOYSA-N
• Boiling Point: 183-184 °C(lit.)
• Melting Point: 25 °C(lit.)
• Flash Point: 185 °F
• Density: 1.002 g/mL at 20 °C(lit.)
• Solubility: Soluble in water
• Appearance: Liquid
• Application: 2,3-Butanediol serves as a versatile and promising bulk chemical with wide-ranging applications in various industries. It is a viscous, colorless liquid or a colorless to white solid, known for its ability to enhance the octane number of fuels, making it a valuable drop-in fuel option. Its utility extends to the production of printing inks, perfumes, synthetic rubber, fumigants, antifreeze agents, and pharmaceuticals. As an organic compound, 2,3-Butanediol is classified as a vicinal diol (glycol) with hydroxyl groups at C-2 and C-3, existing in three stereoisomers. It plays a critical role as a precursor in manufacturing chemicals like methyl ethyl ketone (MEK), gamma-butyrolactone (GBL), and 1,3-butadiene. Furthermore, it can be converted into methyl-ethyl ketone for use as a solvent and, through combination and hydrogenation reactions, transformed into octane for high-quality aviation fuel. Its capability to undergo dehydration and deoxydehydration processes demonstrates its adaptability in forming other valuable compounds such as butanone and butene, emphasizing its importance in the chemical sector.
• Storage: Store below +30 °C
• Active Content: 95%
• Autoignition Temperature: 756 °F (402 °C)
• Color/Form: Nearly colorless, crystalline solid or liquid
• Complexity: 30.5
• Covalently-Bonded Unit Count: 1
• Decomposition: Hazardous decomposition products formed under fire conditions - Carbon oxides.;When heated to decomposition it emits acrid smoke and fumes.
• Defined Atom Stereocenter Count: 0
• EC Number: 208-173-6
• Exact Mass: 90.068079557
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• LogP: -0.92 (LogP);-0.92;log Kow = -0.92;-0.92
• Monoisotopic Mass: 90.068079557
• NSC Number: 249246
• Odor: Odorless
• Other Experimental: Hygroscopic;Occurs in 3 isomeric forms: meso- or erythro-, D(-)-threo-, and L(+)-threo-isomers;Sadtler Reference number: 4660 (IR, PRISM); 87 (NMR) /dl-isomer/;1 ppm = 3.68 mg/cu m and 1 mg/L = 272 ppm at 25 °C, 760 mmHg /Butandiols/;Optical Rotation = +11.8 deg at 25 °C/D (2S,3S-2,3-butanediol); -13.16 deg at 25 °C/D (2R,3R-2,3-butanediol);Heat capacity of liquid (constant pressure)= 213.0 J/(mol-K) at 25 °C;Antoine Coefficients: A= 6.07439; B= 2616.746; C= -24.565; Temperature range= 34-182 °C;Hygroscopic crystals from diisopropyl ether. MP: 7.6 °C; BP: 172.7 °C at 742 mm Hg, 86 °C at 16 mm Hg; Index of refraction: 1.4310 at 25 °C/D. Very soluble in diisopropyl ether /DL-threo-2,3-butylene glycol/;Hygroscopic crystals from dry diisopropyl ether. MP: 34.4 °C; BP: 181.7 °C at 742 mm Hg, 89 °C at 16 mm Hg; Density: 0.9939 at 25 °C/4 °C; Index of refraction: 1.4324 at 35 °C/D; Moderatelt soluble in diisopropyl ether /meso-2,3-butylene glycol (erythro-2,3-butylene glycol)/;MP: 19.7 °C; BP: 179-180 °C at 745 mm Hg, 77.5-78 °C at 10 mm Hg; Density: 0.9869 at 25 °C/4 °C; Index of refraction: 1.4315 at 25 °C/D; Optical Rotation: -13.0 deg at 25 °C/D (neat) /D(-)-threo-2,3-butylene glycol/;BP: 179-182 °C at 745 mm Hg; Density: 0.9872 at 25 °C; Index of refraction: 1.4306 at 25 °C/D /L(+)-threo-2,3-butylene glycol/;MASS: 99066 (NIST/EPA/MSDC Mass Spectral Database 1990 version); 181 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) /meso-Isomer/;MASS: 99065 (NIST/EPA/MSDC Mass Spectral Database 1990 version): 181 (Atlas of Mass Spectral Data, John Wiley & Sons, New York); IR: 1265 (Coblentz Society Spectral Collection); UV: 5-23 (Philip et al, Organic Electronic Spectral Data, John Wiley & Sons, New York); 1H NMR: 87 (Varian Associates NMR spectra collection) /DL-threo-Isomer/;Henry's Law constant= 2.88X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant= 2.36X10-11 cu cm/molecule-sec at 25 °C (est)
• pH: 7
• Physical State: Liquid
• pKa: 14.67±0.20(Predicted)
• Refractive Index: n20/D 1.433(lit.)
• Rotatable Bond Count: 1
• Solubility In Water: Soluble
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 40.5 Ų
• Vapor Density: 3.1 (Air = 1)
• Vapor Pressure: 0.21 mmHg;0.243 mm Hg at 25 °C
• Viscosity: 0.121 sq m/sec at 25 °C
• XLogP3: -0.9
• XLogP3-AA: -0.9

Custom Q&A

What is the CAS number for 2,3-Butanediol?

The CAS number for 2,3-Butanediol is 513-85-9.

What is the IUPAC name of 2,3-Butanediol?

The IUPAC name of 2,3-Butanediol is butane-2,3-diol.

What is the molecular weight of 2,3-Butanediol?

The molecular weight of 2,3-Butanediol is 90.12.

What is the molecular formula of 2,3-Butanediol?

The molecular formula of 2,3-Butanediol is C4H10O2.

What is the boiling point of 2,3-Butanediol?

The boiling point of 2,3-Butanediol is 182 °C at 1 atm.

What is the melting point of 2,3-Butanediol?

The melting point of 2,3-Butanediol is 16.3 °C.

What is the flash point of 2,3-Butanediol?

The flash point of 2,3-Butanediol is 85 °C (185 °F) - closed cup.

What is the density of 2,3-Butanediol at 20 °C/20 °C?

The density of 2,3-Butanediol at 20 °C/20 °C is 1.045.

What are some typical applications of 2,3-Butanediol?

Some typical applications of 2,3-Butanediol include use as a solvent, pour point depressant, and intermediate in organic synthesis.

What is the percentage of actives in 2,3-Butanediol?

The percentage of actives in 2,3-Butanediol is 95%.