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
• 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%.