ChemicalBook--->CAS DataBase List--->513-85-9

513-85-9

513-85-9 Structure

513-85-9 Structure
IdentificationMore
[Name]

2,3-Butanediol
[CAS]

513-85-9
[Synonyms]

2,3-BUTANEDIOL
2,3-BUTYLENE GLYCOL
2,3-DIHYDROXYBUTANE
BUTANE-2,3-DIOL
BUTANEDIOL, 2,3-
DIMETHYLENE GLYCOL
OMEGA-BUTYLENE GLYCOL
2,3-Butandiol
2,3-butanodiol
Dimethylethylene glycol
dimethylethyleneglycol
pseudobutyleneglycol
sym-dimethylethyleneglycol
2,3-BUTANEDIOL, MIXTURE OF RACEMIC AND M ESO FORMS
2.3-BUTYLENE GLYCOL GC STANDARD
2,3-BUTANEDIOL NATURALLY PRODUCED
2,3-BUTANEDIOL (MIXTURE OF MESO-D-AND L-FORM)
2,3-Butanediol, mixture of racemic and meso forms, techn., 98%
butanediol,2,3-butanediol
BUTANEDIOL, 2,3-(SG)
[EINECS(EC#)]

208-173-6
[Molecular Formula]

C4H10O2
[MDL Number]

MFCD00004523
[Molecular Weight]

90.12
[MOL File]

513-85-9.mol
Chemical PropertiesBack Directory
[Appearance]

viscous colourless liquid, or colourless to white solid
[Melting point ]

25 °C (lit.)
[Boiling point ]

183-184 °C (lit.)
[density ]

1.002 g/mL at 20 °C(lit.)
[vapor pressure ]

<1 hPa (20 °C)
[refractive index ]

n20/D 1.433(lit.)
[Fp ]

185 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform, Methanol
[form ]

Viscous Liquid
[pka]

14.67±0.20(Predicted)
[color ]

Colorless to pale yellow
[Odor]

at 0.10 % in dipropylene glycol. fruity creamy buttery
[PH]

7 (H2O, 20℃)Aqueous solution
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, acid anhydrides, acid chlorides, chloroformates, reducing agents.
[explosive limit]

3.1-11.4%(V)
[Odor Type]

creamy
[Water Solubility ]

SOLUBLE
[Specific Heat Capacity]

Cp(liquid):213J/(g·K),at 25℃
[Sensitive ]

Hygroscopic
[Merck ]

1568
[BRN ]

969165
[Henry's Law Constant]

1.1×103 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
[Cosmetics Ingredients Functions]

HUMECTANT
SOLVENT
SKIN CONDITIONING
FRAGRANCE
[Cosmetic Ingredient Review (CIR)]

2,3-Butanediol (513-85-9)
[InChI]

1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
[InChIKey]

OWBTYPJTUOEWEK-UHFFFAOYSA-N
[SMILES]

CC(O)C(C)O
[LogP]

-0.92 at 25℃
[CAS DataBase Reference]

513-85-9(CAS DataBase Reference)
[NIST Chemistry Reference]

2,3-Butanediol(513-85-9)
[EPA Substance Registry System]

513-85-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210-P280-P403+P235-P501-P210e-P280a-P370+P378a-P501a
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

EK0532000
[Autoignition Temperature]

395 °C DIN 51794
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29053980
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Mildly toxic by ingestion. See also ETHYLENE GLYCOL. Flammable when exposed to heat or flame. Incompatible with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes
[Hazardous Substances Data]

513-85-9(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 5000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Molasses
[Preparation Products]

Acetoin-->4,5-dimethyl-1,3,2-dioxathiolane 2-oxide-->2,3-Butanediol, 2-acetate-->2,3-Dimethylquinoxaline-->butane-2,3-diyl diacetate-->2-Hydroxypropanoic acid-->Methanol-->Propylene glycol-->Tetrahydrofuran
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3-Butylene glycol(513-85-9).msds
Hazard InformationBack Directory
[Description]

2,3-Butanediol(23BD) is the organic compound with the formula (CH3CHOH). It is classified as a vic-diol (glycol). It exists as three stereoisomers, a chiral pair and the meso isomer. All are colorless liquids. Applications include precursors to various plastics and pesticides.
2,3-Butanediol is a commodity chemical usually produced from oil. It can be used as a precursor in the manufacture of a range of chemical products, including the solvents methyl ethyl ketone (MEK), gamma-butyrolactone (GBL), and 1,3-butadiene.
[Chemical Properties]

viscous colourless liquid, or colourless to white solid
[Uses]

2,3-Butanediol (2,3-BD) is a promising bulk chemical with a potentially wide range of applications e.g., in the manufacture of printing inks, perfumes, synthetic rubber, fumigants, antifreeze agents, fuel additives, foodstuffs and pharmaceuticals. Its high heating value and ability to increase the octane number of fuels make 2,3-BD a promising drop-in fuel. It can also be converted to methyl-ethyl ketone (MEK), which is considered an effective liquid fuel additive. After combination with MEK and hydrogenation reaction, 2,3-BD can be converted to octane, which is used to produce high-quality aviation fuel.
[Definition]

ChEBI: A butanediol in which hydroxylation is at C-2 and C-3.
[Preparation]

2,3-Butanediol is prepared by hydrolysis of 2,3-epoxybutane:
(CH3CH)2O + H2O → CH3(CHOH)2CH3
[Reactions]

2,3-Butanediol undergo dehydration to form butanone (methyl ethyl ketone):
(CH3CHOH)2 → CH3C(O)CH2CH3 + H2O
It can also undergo deoxydehydration to form butene:
(CH3CHOH)2 + 2 H2 → C4H8 + 2 H2O
[General Description]

2,3-Butanediol is a chiral compound which is extensively utilized in chemical feedstocks and liquid fuels.
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Recrystallise it from isopropyl ether at low temperature. [Beilstein 1 IV 2524.]
[Toxics Screening Level]

The Initial Threshold Screening Level for 2,3 butanediol is 15 μg/m3(annual averaging time).
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-Butanediol(513-85-9)MS
2,3-Butanediol(513-85-9)1HNMR
2,3-Butanediol(513-85-9)13CNMR
2,3-Butanediol(513-85-9)IR1
2,3-Butanediol(513-85-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,3-Butanediol, mixture of racemic and meso forms, techn., 98%(513-85-9)
[TCI AMERICA]

2,3-Butanediol  (mixture of stereoisomers),>97.0%(GC)(513-85-9)
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