ChemicalBook > CAS DataBase List > 3-Oxetanone

3-Oxetanone

CAS No.6704-31-0
Chemical Name:3-Oxetanone
CBNumber:CB81235205
Molecular Formula:C3H4O2
Formula Weight:72.06
MOL File:6704-31-0.mol

3-Oxetanone Property

Boiling point 140 °C
Density 1.231
Flash point 53 °C
refractive index 1.426
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
InChIKey ROADCYAOHVSOLQ-UHFFFAOYSA-N
SMILES O1CC(=O)C1
FDA UNII TGB3B74HZP
UNSPSC Code 12352100
NACRES NA.22

Safety

Hazard Codes :Xn
Risk Statements :10-22-37/38-41-43
Safety Statements :16-26-36/37/39
RIDADR :1993
WGK Germany :3
HazardClass :3
HazardClass :IRRITANT
PackingGroup :Ⅲ
HS Code :29329990

NFPA 704:

	2
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H226-H302-H315-H317-H318-H335
Precautionary statements P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338

3-Oxetanone Price More Price(6)

Brand: Sigma-Aldrich(India)
Product number: 731536
Product name : 3-Oxetanone
Purity:
Packaging: 500MG
Price: ₹3593.9
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 731536
Product name : 3-Oxetanone
Purity:
Packaging: 2G
Price: ₹11333.78
Updated: 2022/06/14
Buy: Buy

Brand: TCI Chemicals (India)
Product number: O0467
Product name : 3-Oxetanone
Purity: min. 97.0 %
Packaging: 1G
Price: ₹5300
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: O0467
Product name : 3-Oxetanone
Purity: min. 97.0 %
Packaging: 5G
Price: ₹26300
Updated: 2022/05/26
Buy: Buy

Brand: ALFA India
Product number: ALF-H57870-06
Product name : 3-Oxetanone, 95%
Purity:
Packaging: 5g
Price: ₹33182
Updated: 2022/05/26
Buy: Buy

3-Oxetanone Chemical Properties,Usage,Production

Chemical Properties Colorless liquid
Uses 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.
Uses 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.
Definition 3-oxetanone (1,3-epoxy2-propanone, c?C3H4O2) is a highly strained molecule functional in ring expansion and addition reactions. This molecule has also been proposed as a decomposition product of acetonylperoxy radical in the atmosphere. 3-oxetanone is suspected in the decomposition of the acetonylperoxy radical, an intermediate formed during the atmospheric processing of acetone. Atmospheric acetone degradation produces the acetonyl radical, CH3C(O)CH2, which reacts with O2 to form the acetonylperoxy radical. Rate constants predicted by a canonical variational theory/small-curvature tunneling method show that the radical isomerising produces 3-oxetanone and hydroxyl radical. These are the dominant products in the 250?2000 K range. There is no significant branching to other products below 1200 K. The only published study of the dissociation of 3-oxetanone is a Rice-Ramsperger-KasselMarcus (RRKM) analysis of the unimolecular rate constant for the photolysis of 3-oxetanone, producing ketene and formaldehyde[1-2].
General Description Product may polymerize over time during storage.
References [1] Sumitra Godara, Manikandan Paranjothy, Pooja Verma. “Dissociation Chemistry of 3-Oxetanone in the Gas Phase.” The Journal of Physical Chemistry A 121 36 (2017): 6679–6686.
[2] Emily M. Wright. “Pyrolysis Reactions of 3-Oxetanone.” The Journal of Physical Chemistry A 119 29 (2015): 7966–7972.