CAS 7379-12-6|ISOPROPYL-n-PROPYL KETONE|2-methyl-3-hexanone|2-methylhexan-3-one|2-Methyl-3-hexanone|2-甲基-3-己酮

Molecular Formula

C₇H₁₄O

Molecular Mass

114.18546

Exact Mass

114.10446507

InChI

InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3

InChIKey

HIGGFWFRAWSMBR-UHFFFAOYSA-N

Canonic Smiles

CCCC(=O)C(C)C

Isomeric Smiles

CCCC(=O)C(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4949064

LogD (pH = 7.4)

2.4949064

Log P

2.4949064

Molar Refractivity

34.6241

Polarizability

13.697401

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

23847

Synonyms

ISOPROPYL-n-PROPYL KETONE2-Methyl-3-hexanone2-甲基-3-己酮

IUPAC Traditional name

2-methyl-3-hexanone

IUPAC name

2-methylhexan-3-one

CAS Number

PubChem SID

MDL Number

MSDS Link

RTECS

MP3900000

Safety Statements

16-29-33

Risk Statements

Packing Group

UN Number

1224

GHS Hazard statements

H226

RID/ADR

UN 1224 3/PG 3

Hazard Class

German water hazard class

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

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

GHS Signal Word

Warning

Product Information

Certificate of Analysis

Download link

Linear Formula

CH3CH2CH2COCH(CH3)2

Purity

98%

Physical Property

Flash Point

75.2 °F

24 °C

Boiling Point

131-132 °C(lit.)

Refractive Index

n20/D 1.406(lit.)

Density

0.825 g/mL at 25 °C(lit.)

No Data Available

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No Data Available

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MP Biomedicals

05223309

MP Biomedicals Rare Chemical collection

Sigma Aldrich

107948

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

23847

Synonyms

ISOPROPYL-n-PROPYL KETONE2-Methyl-3-hexanone2-甲基-3-己酮

IUPAC Traditional name

2-methyl-3-hexanone

IUPAC name

2-methylhexan-3-one

CAS Number

7379-12-6

PubChem SID

16209691624846789

MDL Number

MFCD00009399

Safety Information

Product Information

Certificate of Analysis

Download link

Linear Formula

CH3CH2CH2COCH(CH3)2

Purity

98%

Physical Property

Flash Point

75.2 °F

24 °C

Boiling Point

131-132 °C(lit.)

Refractive Index

n20/D 1.406(lit.)

Density

0.825 g/mL at 25 °C(lit.)

MP Biomedicals

05223309

MP Biomedicals Rare Chemical collection

Sigma Aldrich

107948

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:112280