8.01964

1,3-Butanediol

for synthesis

• Synonym(s): (±)-1,3-Butanediol, 1,3-Butylene glycol
• Linear Formula: CH₃CH(OH)CH₂CH₂OH
• CAS Number: 107-88-0
• Molecular Weight: 90.12
• Beilstein: 1731276
• MDL number: MFCD00004554
• UNSPSC Code: 12352104
• EC Index Number: 203-529-7
• NACRES: NA.22

Properties

• vapor density: 3.1 (20 °C, vs air)
• Quality Level: 200
• vapor pressure: 0.06 mmHg ( 20 °C)
• Assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 741 °F
• potency: 18610 mg/kg LD₅₀, oral (Rat); >20000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.9-12.6 % (v/v)
• refractive index: n20/D 1.44 (lit.)
• pH: 6.1 (20 °C, 500 g/L in H₂O)
• bp: 203-204 °C (lit.)
• mp: -57 °C
• transition temp: flash point 115 °C
• solubility: >500 g/L (miscible)
• density: 1.005 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: CC(O)CCO
• InChI: 1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
• InChI key: PUPZLCDOIYMWBV-UHFFFAOYSA-N

Description

Application

• Process design for acidic and alcohol based deep eutectic solvent pretreatment and high pressure homogenization of palm bunches for nanocellulose: Studies DES based on ChCl and 1,3-butanediol, offering insights into process optimizations for clear solution preparation (Sonyeam et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.003 - 1.005
Water (K. F.): ≤ 0.50 %
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H319
• Precautionary Statements: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 226.4 °F - closed cup
• Flash Point(C): 108 °C - closed cup