CAS 18641-71-9|2,4-dimethylheptan-3-one|2,4-dimethylheptan-3-one|2,4-DIMETHYL-3-HEPTANONE|2-Pentyl isopropyl ketone|2,4-Dimethyl-3-heptanone|2,4-Dimethylheptan-3-one|2,4-二甲基-3-庚酮

Molecular Formula

C₉H₁₈O

Molecular Mass

142.23862

Exact Mass

142.1357652

InChI

InChI=1S/C9H18O/c1-5-6-8(4)9(10)7(2)3/h7-8H,5-6H2,1-4H3

InChIKey

MMEXTUAHJZOQKN-UHFFFAOYSA-N

Canonic Smiles

CCCC(C(=O)C(C)C)C

Isomeric Smiles

CCCC(C)C(=O)C(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.4824615

LogD (pH = 7.4)

3.4824615

Log P

3.4824615

Molar Refractivity

43.7996

Polarizability

17.387396

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

29178

IUPAC name

2,4-dimethylheptan-3-one

IUPAC Traditional name

2,4-dimethylheptan-3-one

Synonyms

2,4-DIMETHYL-3-HEPTANONE2-Pentyl isopropyl ketone2,4-Dimethyl-3-heptanone2,4-Dimethylheptan-3-one2,4-二甲基-3-庚酮

CAS Number

18641-71-9

PubChem SID

162097447

MDL Number

MFCD00027146

Safety Information

MSDS Link

Download link

Hazard Class

Packing Group

III

GHS Hazard statements

H226

GHS Precautionary statements

P261

Risk Statements

TSCA Listed

否

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

UN Number

UN1224

Product Information

Certificate of Analysis

Download link

Purity

95+%

99%

Physical Property

Density

0.812

Flash Point

44°C(111°F)

Boiling Point

170°C

No Data Available

Click here to submit data

No Data Available

Click here to submit data

MP Biomedicals

05223515

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Academic Data

PubChem

29178

IUPAC name

2,4-dimethylheptan-3-one

IUPAC Traditional name

2,4-dimethylheptan-3-one

Synonyms

2,4-DIMETHYL-3-HEPTANONE2-Pentyl isopropyl ketone2,4-Dimethyl-3-heptanone2,4-Dimethylheptan-3-one2,4-二甲基-3-庚酮

CAS Number

18641-71-9

PubChem SID

162097447

MDL Number

MFCD00027146

Safety Information

MSDS Link

Download link

Hazard Class

Packing Group

III

GHS Hazard statements

H226

GHS Precautionary statements

P261

Risk Statements

TSCA Listed

否

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

UN Number

UN1224

Product Information

Certificate of Analysis

Download link

Purity

95+%

99%

Physical Property

Density

0.812

Flash Point

44°C(111°F)

Boiling Point

170°C

MP Biomedicals

05223515

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Molecule

ID:112329