ChemicalBook > CAS DataBase List > 3-Oxetanone

3-Oxetanone

Product Name
3-Oxetanone
CAS No.
6704-31-0
Chemical Name
3-Oxetanone
Synonyms
Oxetan-3-one;1,3-Epoxy-2-propanone;3-Oxooxetane, 1,3-Epoxypropan-2-one;EOS-60380;3-oxetanon;3-Oxetanone;oxentan-3-on;Oxetan-3-one 95%;3-Oxetanone, 98%+;3-Oxocyclobutanone
CBNumber
CB81235205
Molecular Formula
C3H4O2
Formula Weight
72.06
MOL File
6704-31-0.mol
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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
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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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H226Flammable liquid and vapour

H302Harmful if swallowed

H315Causes skin irritation

H317May cause an allergic skin reaction

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
731536
Product name
3-Oxetanone
Packaging
2g
Price
$176
Updated
2024/03/01
Sigma-Aldrich
Product number
731536
Product name
3-Oxetanone
Packaging
10g
Price
$254.4
Updated
2024/03/01
TCI Chemical
Product number
O0467
Product name
3-Oxetanone
Purity
>97.0%(GC)
Packaging
1g
Price
$99
Updated
2024/03/01
TCI Chemical
Product number
O0467
Product name
3-Oxetanone
Purity
>97.0%(GC)
Packaging
5g
Price
$295
Updated
2024/03/01
Alfa Aesar
Product number
H57870
Product name
3-Oxetanone, 95%
Packaging
1g
Price
$130.65
Updated
2024/03/01
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3-Oxetanone Chemical Properties,Usage,Production

Chemical Properties

Colorless liquid

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.

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.

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.

3-Oxetanone Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Oxetanone Suppliers

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View Lastest Price from 3-Oxetanone manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
3-Oxetanone 6704-31-0
Price
US $998.00/ASSAYS
Min. Order
1ASSAYS
Purity
98%
Supply Ability
1T
Release date
2020-06-28
Shaanxi Dideu Medichem Co. Ltd
Product
3-Oxetanone 6704-31-0
Price
US $998.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1T
Release date
2020-06-28
Hebei Weibang Biotechnology Co., Ltd
Product
3-Oxetanone 6704-31-0
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2023-02-20

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