CAS 67-64-1|acetone|ACETONE ACS REAGENT GRADE|ACETONE HPLC GRADE|propan-2-one|ACETONE, GC GRADE|ACETONE, HISTOLOGICAL GRADE|ACETONE, ABSOLV GRADE|Acetone|Pyroacetic spirit (archaic)|2-Propanone|β-K...

General Information

Structure

Molecular Formula

C₃H₆O

Molecular Mass

58.07914

Exact Mass

58.04186481

Charge

InChI

InChI=1S/C3H6O/c1-3(2)4/h1-2H3

InChIKey

CSCPPACGZOOCGX-UHFFFAOYSA-N

Canonic Smiles

CC(=O)C

Isomeric Smiles

CC(=O)C

Calculated Properties

JChem

LogD (pH = 7.4)

0.11

LogD (pH = 5.5)

0.11

Log P

0.11

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

19.51

Polar Surface Area

17.07

Polarizability

6.41

Molar Refractivity

16.19

LOG S

0.38

Data Source

Academic Data

180

Data Source

Names and Identifiers

IUPAC Traditional name

acetone

Synonyms

ACETONE ACS REAGENT GRADEACETONE HPLC GRADEACETONE, GC GRADEACETONE, HISTOLOGICAL GRADEACETONE, ABSOLV GRADEAcetoneβ-KetopropanePyroacetic spirit (archaic)2-PropanonePropanoneDimethyl ketoneDimethyl formaldehydeAcetone丙酮丙酮溶液Acetone solution丙酮Acetonum丙酮, ACSAcetone, HPLC GradeAcetone, Environmental GradeAcetone, Semiconductor Grade丙酮, 光谱级丙酮, HPLC级Acetone, Spectrophotometric Grade丙酮, 环境级丙酮,半导体级Acetone, ACSACETONEAcetonebeta-KetopropaneDimethyl ketoneDimethylketondimethylketoneacetonepropanonePropanonAzetondimethylcetonePyroacetic ether2-Propanoneacetonemethyl ketoneAceton

IUPAC name

propan-2-one

IUPAC Systematic name

Propan-2-one

Names and Identifiers

Registration numbers

CHEMBL

14253CHEMBL14253

Chemspider ID

175

MeSH Name

Acetone

Unique Ingredient Identifier

1364PS73AF

CHEBI ID

15347CHEBI:15347CHEBI:40571CHEBI:22182CHEBI:2398CHEBI:13708

Gmelin ID

CAS Number

Wikipedia Title

PubChem CID

KEGG ID

Beilstein Number

EC Number

Council of Europe Number

737

PubChem SID

24901643249016441620929072486516224865952248594142485079724859249248611112486513324849455248780122486157924856392

Flavis Number

MDL Number

FEMA ID

Merck Index

BRENDA Database

3.5.1.41.14.17.43.5.1.363.2.1.B314.2.1.841.1.1.823.1.1.731.3.1.741.2.1.51.1.1.1761.10.3.23.4.19.31.14.14.1481.1.9.1

Reaxys Registry

635680

MetaboLights Database

MTBLS808MTBLS1145MTBLS841MTBLS200MTBLS77MTBLS2550MTBLS1MTBLS881MTBLS24MTBLS1918MTBLS1495MTBLS431MTBLS2633MTBLS1079MTBLS100

BKMS React Database

11333417525590246325360462951832175312

Protein Data Bank

1kv91fjq1gns1rhc1dwo1g7a3zvw3q6j4chs7pt41fjo2c3c2fo95z054rdb2y55

BRENDA Ligand Database

90241832173604629517525553126325113334

PubMed Citation Links

1719085217347819

UniProt Database

Q3YYV2Q5FNS2P0A794Q3B5P7A1KVH8Q3A5V4B2TLN8Q98KL6Q28V29Q3BZR9Q46Z21Q5HTM5Q8ZN19Q7UYK5Q3V8B3

SABIO-RK Database

15163792296791426015681709160251710148201602612937

Rhea Database

RHEA:66688RHEA:11932RHEA:18385RHEA:41984RHEA:19281RHEA:19729RHEA:11624RHEA:55788RHEA:30459RHEA:21792RHEA:30371RHEA:27481RHEA:62196RHEA:49988RHEA:69424

IntEnz Database

EC 4.1.2.37EC 1.14.13.115EC 1.14.13.226EC 4.1.99.16EC 1.14.13.102EC 1.14.14.148EC 6.4.1.6EC 2.6.3.1EC 1.14.14.141EC 1.1.1.80EC 4.1.1.4

NMRShiftDB Database

10007820

Patent number

US2003229142US2003073872EP0987123EP1380295EP1527784EP1690858EP1693368EP1845093EP2006290GB2080288EP1580193US2005009794US2003023117EP1913936

VirtualMetabolicHuman Database

CompTox Database

ACToR Database

MetaCyc Database

PDBeChem Database

EnzymePortal Database

B2IJF4Q1BK36P14941Q9EYI7Q98IH6B1YXQ0C0SJS2Q62EK3B2TLN8B1K259A2RZY1Q3JIC1Q8RM04Q8XR10Q63PC7

GeneOntology Database

GO:0043444GO:1902704GO:0043443GO:0010123GO:0043445

SureChEMBL Database

LIPID MAPS Instance

HMDB Database

KEGG DRUG Database

UM-BBD compID

Registration numbers

Properties

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Wikipedia

Acetone

Sigma Aldrich

323969

Application
Suitable for pesticide residue analysis
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Packaging
4×4 L in glass bottle

W332607

Packaging
1 kg in glass bottle
8 kg in steel drum
1 sample in glass bottle
20 kg in comp drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

W332615

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in steel drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

40289

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
PURANAL is a trademark of Honeywell Specialty Chemicals Seelze GmbH

40268

Other Notes
available only in Europe
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
PURANAL is a trademark of Honeywell Specialty Chemicals Seelze GmbH

40308

00560

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

00566

General description
Special brochure (85475) available at cost price.
Other Notes
Sales restrictions may apply
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

414689

Application
Suitable for environmental analysis
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Packaging
4×4 L in glass bottle
Packaged in glass bottles

00570

Other Notes
Sales restrictions may apply
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

00585

90872

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

00580

154598

Packaging
1, 6×1, 2, 4×2, 4×4 L in glass bottle
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

34850

Packaging
1, 6×1, 2.5, 4×2.5, 72×2.5 L in glass bottle
View returnable container options.
45 L in ss drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

32201

Packaging
This product is also available in glass bottles.
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

24201

Packaging
2.5, 4×2.5 L-GL in glass bottle
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

65469

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

34480

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

40204

686530

Packaging
20 L in Nowpak™
4×4 L in glass bottle

01-0492

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0490

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0493

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0480

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0470

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0494

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0530

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0475

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0460

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0520

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

439126

Packaging
18 L in VerSA-Flow™
2×10 L in Nowpak™
20 L in Nowpak™
4, 4×4 L in PVC coated
50 L in comp drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

31062

Analysis Note
You may ask for the detailed Inspection Certificate B according to EN 10204 by fax no. +49-05137/8238-120 mentioning article number and batch.
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

443638

Other Notes
Contains MnO4- reducers
Packaging
200 L in steel drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

650501

Application
Suitable for HPLC, spectrophotometry, environmental testing
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Packaging
1, 6×1, 4, 4×4 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

673781

Packaging
1, 6×1, 4, 4×4 L in aluminum bottle
200 L in steel drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

534064

Packaging
20 L in steel drum
500 mL in poly bottle
4, 4×4 L in poly bottle
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

179973

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1, 6×1, 4, 4×4 L in glass bottle
20 L in steel drum
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

270725

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1, 6×1, 2, 4×2, 4, 4×4 L in glass bottle
20, 50 L in Pure-Pac™ 2
View returnable container options.
100 mL in glass bottle
56, 200 L in Pure-Pac™ 1
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

179124

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1, 6×1, 2, 4×2, 2.5, 4×2.5, 4, 4×4 L in glass bottle
20 L in steel drum
4×4 L in poly bottle
50 L in Pure-Pac™ 2
View returnable container options.
200 L in steel drum
500, 6×500 mL in glass bottle
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

320110

Packaging
1 L in glass bottle
4, 4×4 L in PVC coated
View returnable container options.
200 L in Pure-Pac™ 1
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

323772

Packaging
2 L in glass bottle
500 mL in glass bottle
Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

MP Biomedicals

02193832

ACS Reagent Grade
Purity: >99.5%

02193834

HPLC Grade Reagent
Purity: 99.9+%

ChEBI

CHEBI:15347

A methyl ketone that consists of propane bearing an oxo group at C2.

Molecule Details

References

PubChem Literature

From Data Sources

• Precursor of dimethyldioxirane, by reaction with K monopersulfate, and isolation in solution by low temperature distillation. For details, see: Chem. Ber., 124, 2377 (1991). It is an excellent reagent for rapid, stereospecific epoxidation of alkenes under mild conditions: J. Org. Chem., 50, 2847 (1985); Org. Synth. Coll., 9, 288 (1998). For improved work-up procedure allowing the possibility of more concentrated solutions or the isolation of acetone-free material, see: Tetrahedron Lett., 37, 3585 (1996). For biphasic, environmentally-friendly system (EtOAc-H₂ O), see: Org. Process Res. Dev., 6, 407 (2002). Selective oxidation of phosphorus ylides occurs under mild conditions, providing a route to vicinal tricarbonyl derivatives: J. Org. Chem., 60, 8231 (1995). For conversion of ɑ-bromo-?-dicarbonyls to vicinal tricarbonyls, see: Tetrahedron Lett., 36, 7735 (1995). For formation of singlet oxygen by deoxygenation of heteroaromatic N-oxides, e.g. 4-diethylaminopyridine N-oxide, see: J. Chem. Soc., Chem.Commun., 1831 (1995). For reviews of dioxiranes, see: Acc. Chem. Res., 22, 205 (1989); Chem. Rev., 89, 1187 (1989).

References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

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• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

• IUPAC Systematic name

Registration numbers

• CHEMBL

• Chemspider ID

• MeSH Name

• Unique Ingredient Identifier

• CHEBI ID

• Gmelin ID

• CAS Number

• Wikipedia Title

• PubChem CID

• KEGG ID

• Beilstein Number

• EC Number

• Council of Europe Number

• PubChem SID

• Flavis Number

• MDL Number

• FEMA ID

• Merck Index

• BRENDA Database

• Reaxys Registry

• MetaboLights Database

• BKMS React Database

• Protein Data Bank

• BRENDA Ligand Database

• PubMed Citation Links

• UniProt Database

• SABIO-RK Database

• Rhea Database

• IntEnz Database

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References

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule Details

Wikipedia

Acetone

Sigma Aldrich

323969

W332607

W332615

40289

40268

40308

00560

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

00566

414689

00570

00585

90872

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

00580

154598

34850

32201

24201

65469

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

34480

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

40204

686530

Packaging
20 L in Nowpak™
4×4 L in glass bottle

01-0492

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0490

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0493

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0480

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0470

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0494

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0530

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0475

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0460

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

01-0520

Application
Acetone′s luminesence intensity is dependent upon the solution components 1. The absorption of UV light by acetone, results in its photolysis and the production of radials 1.

439126

31062

443638

650501

673781

534064

179973

270725

179124

320110

323772

MP Biomedicals