Name | 1,3-Butanediol |
Synonyms | Butanediol 1,3-Butandiol 1,3-Butanediol butane-1,3-diol Methyltrimethylene (±)-butane-1,3-diol 1,3-DIHYDROXYBUTANE (3S)-butane-1,3-diol (3R)-butane-1,3-diol methyltrimethyleneglycol Methyltrimethylene glycol 1-METHYLTRIMETHYLENE GLYCOL |
CAS | 107-88-0 |
EINECS | 203-529-7 |
InChI | InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
Molecular Formula | C4H10O2 |
Molar Mass | 90.12 |
Density | 1.005g/mLat 25°C(lit.) |
Melting Point | -54 °C |
Boling Point | 203-204°C(lit.) |
Flash Point | 250°F |
Water Solubility | SOLUBLE |
Solubility | It is miscible in water, acetone, and soluble in ether. |
Vapor Presure | 0.06 mm Hg ( 20 °C) |
Vapor Density | 3.1 (20 °C, vs air) |
Appearance | Liquid |
Specific Gravity | 1.004 – 1.007 |
Color | Clear colorless to yellow, may discolor to brown on storage |
Merck | 14,1567 |
BRN | 1731276 |
pKa | 14.83±0.20(Predicted) |
PH | 6.1 (500g/l, H2O, 20℃) |
Storage Condition | Store below +30°C. |
Stability | Stable. Flammable. Hygroscopic - protect from air and moisture. Incompatible with strong oxidizing agents. |
Sensitive | Hygroscopic |
Explosive Limit | 1.9-12.6%(V) |
Refractive Index | n20/D 1.44(lit.) |
MDL | MFCD00004554 |
Physical and Chemical Properties | Transparent colorless hygroscopic viscous liquid, with weak special taste. Almost no odor. Boiling point 207.5 °c, relative density (4:1.0059, refractive index (nD20)1.4401, freezing point <-50 °c, flash point 121.1 °c. Has a certain antibacterial effect. Miscible in water, acetone, soluble in ether. |
Use | Used as a soft emollient and also used in organic synthesis |
Safety Description | 24/25 - Avoid contact with skin and eyes. |
WGK Germany | 1 |
RTECS | EK0440000 |
FLUKA BRAND F CODES | 3 |
TSCA | Yes |
HS Code | 29053920 |
Toxicity | LD50 orally in Rabbit: 18610 mg/kg LD50 dermal Rabbit > 20000 mg/kg |
colorless, slightly bitter sweet viscous liquid. Melting Point -77 °c. Boiling point 207.5 °c. The relative density was 1. 0043. Viscosity (25 °c) 103. 9MPA. s. Refractive index 4401. Surface tension (25 °c) 37.8mN/m. Soluble in water, acetone, methyl-ethyl (methyl) ketone, ethanol, dibutyl phthalate, castor oil, almost insoluble in aliphatic hydrocarbons, benzene, toluene, carbon tetrachloride, ethanol Amine, mineral oil, linseed oil. Heat can dissolve nylon, also can partially dissolve shellac and rosin. Due to the high boiling point, atmospheric pressure distillation is susceptible to air oxidation, it is desirable to distillation under reduced pressure. Strong hygroscopicity.
using acetaldehyde as a raw material, 3-hydroxybutyraldehyde is produced by self-condensation in an alkali solution and then hydrogenated to Form 1,3-butanediol.
for the production of plasticizers, unsaturated polyester resin. It can also be used as an antibacterial agent for cheese or meat, an end-Group agent for oil-free alkyd resin, and a de-icing agent, a moisturizing agent and a coupling agent in the aviation industry.