1,3-Butanediol Structure

1,3-Butanediol

Chemical Properties

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.)
FLAVIS Number 02.132 | Butane-1,3-diol
Flash point 250 °F
storage temp.  Store below +30°C.
solubility  >500g/lMiscible
form  Liquid
pka 14.83±0.20(Predicted)
Specific Gravity 1.004 – 1.007
color  Clear colorless to yellow, may discolor to brown on storage
PH 6.1 (500g/l, H2O, 20℃)
PH Range 6 - 7 at 20 °C
Odor odorless
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)
Stability Stable. Flammable. Hygroscopic - protect from air and moisture. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions SKIN CONDITIONING
SOLVENT
VISCOSITY CONTROLLING
HUMECTANT
FRAGRANCE
InChI 1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChIKey PUPZLCDOIYMWBV-UHFFFAOYSA-N
SMILES CC(O)CCO
LogP -0.9 at 25℃
CAS DataBase Reference 107-88-0(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 1,3-BUTYLENE GLYCOL
FDA 21 CFR 173.220; 175.105; 175.320;177.1200; 177.1210; 177.1680;177.2420; 178.2010
FDA UNII 3XUS85K0RA
NIST Chemistry Reference 1,3-Butanediol(107-88-0)
EPA Substance Registry System 1,3-Butylene glycol (107-88-0)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313
Safety Statements  24/25
WGK Germany  1
RTECS  EK0440000
F  3
Autoignition Temperature 741 °F
TSCA  TSCA listed
HS Code  29053920
Storage Class 10 - Combustible liquids
Hazardous Substances Data 107-88-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 18610 mg/kg LD50 dermal Rabbit > 20000 mg/kg
NFPA 704:
1
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