3-Oxetanone | CAS No. 6704-31-0

3-Oxetanone

Basic Information

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CAS Number

6704-31-0

Molecular Formula

C3H4O2

Molecular Weight

72.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

106°C

Density

1.124 g/mL at 25 °C

Solubility

Miscible with tetrahydrofuran.

Refractive Index

n20/D 1.426

SMILES

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C1C(=O)CO1

InChI

InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2

InChIKey

ROADCYAOHVSOLQ-UHFFFAOYSA-N

LogP

-0.4143

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

51.9

Safety Information

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GHS Hazard Pictograms

H226

H302

H315

H317

H318

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

DTXSID80567101
O0467
6704-31-0
UNII-TGB3B74HZP
1,3-Epoxy-2-propanone
MFCD09263255
Oxetan-3-one
SY003915
FT-0648683
AKOS005259076
HY-76440
oxetan-3-on
2-Propanone, 1,3-epoxy-
TGB3B74HZP
BDBM50551697
C3H4O2
ROADCYAOHVSOLQ-UHFFFAOYSA-N
CS-M1912
3-oxooxetane
oxetane-3-one
3-oxetanone
PB20352
A24178
CHEMBL4779660
Q753254
AM20020042
BCP05482
EN300-69922
J-512993
STR08949
oxentan-3-on

MDL Number

MFCD09263255

Customs Code

2932999099

FAQ

What is 3-Oxetanone (CAS: 6704-31-0)?

3-Oxetanone, also known as 2-oxo-4-methyltetrahydrofuran, is a cyclic ketone with the chemical formula C4H6O2. It is a colorless, slightly viscous liquid with a faint odor. It is miscible with water and other organic solvents.

What are the main uses of 3-Oxetanone (CAS: 6704-31-0)?

3-Oxetanone is primarily used as a precursor in the synthesis of various chemicals and pharmaceuticals. It is also employed as a solvent in organic synthesis and as a flavoring agent in the food industry.

Is 3-Oxetanone (CAS: 6704-31-0) safe?

3-Oxetanone is generally considered safe for industrial use, but it can be toxic if ingested or inhaled. It is important to handle it with appropriate protective equipment, such as gloves and goggles, and to avoid skin contact. Storage should be in a well-ventilated area, and it should be kept away from sources of ignition.

How should 3-Oxetanone (CAS: 6704-31-0) be stored?

3-Oxetanone should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage area should have adequate ventilation to ensure minimal exposure to air and moisture.