107-88-0

Name 1,3-Butanediol
CAS 107-88-0
EINECS(EC#) 203-529-7
Molecular Formula C4H10O2
MDL Number MFCD00004554
Molecular Weight 90.12
MOL File 107-88-0.mol

Chemical Properties

Appearance colourless liquid
Melting point  -54 °C
Boiling point  203-204 °C(lit.)
density  1.005 g/mL at 25 °C(lit.)
vapor density  3.1 (20 °C, vs air)
vapor pressure  0.06 mm Hg ( 20 °C)
refractive index  n20/D 1.44(lit.)
Fp  250 °F
storage temp.  2-8°C
solubility  >500g/lMiscible
form  Liquid
pka 14.83±0.20(Predicted)
color  Clear colorless to yellow, may discolor to brown on storage
Specific Gravity 1.004 – 1.007
Odor odorless
PH 6.1 (500g/l, H2O, 20℃)
PH Range 6 - 7 at 20 °C
Stability: Stable. Flammable. Hygroscopic-protect from air and moisture. Incompatible with strong oxidizing agents.
explosive limit 1.9-12.6%(V)
Water Solubility  SOLUBLE
Sensitive  Hygroscopic
Merck  14,1567
BRN  1731276
Henry's Law Constant 7.0×103 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Cosmetics Ingredients Functions SKIN CONDITIONING
SOLVENT
VISCOSITY CONTROLLING
HUMECTANT
FRAGRANCE
InChI 1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
Contact allergens
This dihydric alcohol is used for its humectant and preservative potentiator properties in cosmetics, topical medicaments and polyurethane, polyester, cellophane, and cigarettes. It has similar properties, but is less irritant than propylene glycol. Contact allergies seem to be rare.
InChIKey PUPZLCDOIYMWBV-UHFFFAOYSA-N
SMILES CC(O)CCO
LogP -0.9 at 25℃
CAS DataBase Reference 107-88-0(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Butanediol(107-88-0)
EPA Substance Registry System 107-88-0(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  EK0440000
F  3
Autoignition Temperature 741 °F
TSCA  Yes
REACH Registrations Active
HS Code  29053920
Storage Class 10 - Combustible liquids
Safety Profile
Mdly toxic by ingestion and subcutaneous routes. A skin and eye irritant. See also ETHYLENE GLYCOL. Experimental reproductive effects. Combustible when exposed to heat or flame. Incompatible with oxidizing materials. To fight fire, use foam, alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 107-88-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 18610 mg/kg LD50 dermal Rabbit > 20000 mg/kg

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier