513-85-9

Name 2,3-Butanediol
CAS 513-85-9
EINECS(EC#) 208-173-6
Molecular Formula C4H10O2
MDL Number MFCD00004523
Molecular Weight 90.12
MOL File 513-85-9.mol

Chemical Properties

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 Data

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 Products

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier