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HomeProduct name list3-Oxetanone

3-Oxetanone

Synonym(s):1,3-Epoxy-2-propanone

  • CAS NO.:6704-31-0
  • Empirical Formula: C3H4O2
  • Molecular Weight: 72.06
  • MDL number: MFCD09263255
  • EINECS: 664-396-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-07-29 10:01:26
3-Oxetanone Structural

What is 3-Oxetanone?

Chemical properties

Colorless liquid

The Uses of 3-Oxetanone

3-Oxetanone is used as a starting material for the preparation of other oxetanes compounds, which are of pharmacological interest. It is also considered as an object for theoretical studies.

The Uses of 3-Oxetanone

3-Oxetanone can be used to synthesize:

  • Various oxetane-containing lead compounds with improved solubility, reduced lipophilicity and amphiphilicity.
  • (Hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles via single-step microwave mediated reaction with primary amides and thioamides, respectively.
  • Oxetane containing spirocycles through thermal 1,3-dipolar cycloaddition reaction with α-amino acids or secondary α-amino acid esters.

General Description

Product may polymerize over time during storage.

Properties of 3-Oxetanone

Boiling point: 140 °C
Density  1.231
refractive index  1.426
Flash point: 53 °C
storage temp.  -20°C
solubility  Miscible with tetrahydrofuran.
form  clear liquid
color  Colorless to Red to Green
InChI InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2

Safety information for 3-Oxetanone

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-Oxetanone

InChIKey ROADCYAOHVSOLQ-UHFFFAOYSA-N
SMILES O1CC(=O)C1

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