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Hexanoic anhydride

SIAL/21580 - purum, ≥97.0% (GC)

Synonym: Caproic anhydride

CAS Number: 2051-49-2
Empirical Formula (Hill Notation): C12H22O3
Molecular Weight: 214.30
EC Number: 218-121-4
MDL Number: MFCD00009509
Linear Formula: [CH3(CH2)4CO]2O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-21580-250ML-F 250 mL
 $73.30
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assay ≥97.0% (GC)
bp 246-248 °C (lit.)
density 0.928 g/mL at 20 °C (lit.)
form liquid
functional group anhydride
  ester
grade purum
InChI 1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
InChI key PKHMTIRCAFTBDS-UHFFFAOYSA-N
Quality Level 200 
refractive index n20/D 1.428 (lit.)
  n20/D 1.429
SMILES string CCCCCC(=O)OC(=O)CCCCC
solubility ethanol: soluble 1 g/10 mL, clear, colorless
Application: Hexanoic anhydride has been used in:
• green synthesis of esters of acyclovir (acyclovir prodrugs)
• preparation of hexanoyl-modified chitosan nanoparticles and chitosan-based polymeric surfactants via N-acylation of chitosans
Symbol GHS05  GHS05
Signal word Danger
Hazard statements H314
Precautionary statements P280 - P305 + P351 + P338 - P310
Hazard Codes C
Risk Statements 34
Safety Statements 26-36/37/39-45
RIDADR UN 3265 8 / PGII
WGK Germany WGK 3
Flash Point(F) 235.4 °F - closed cup
Flash Point(C) 113 °C - closed cup
Purity ≥97.0% (GC)
bp 246-248 °C (lit.)
Density 0.928 g/mL at 20 °C (lit.)
Refractive Index n20/D 1.428 (lit.); n20/D 1.429
UNSPSC 12352100

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