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

Americas 1 China 291 Europe 1 Germany 4 India 10 Japan 1 South Korea 1 Switzerland 2 United Kingdom 3 United States 27 Global 341

HBCChem, Inc.

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OChem Incorporation

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SynQuest Laboratories, Inc.

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Riedel-de Haen AG

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Synthonix

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Focus Synthesis LLC

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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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