CAS 2213-32-3|2,4-dimethyl-1-pentene|2,4-dimethylpent-1-ene|2,4-DIMETHYL-1-PENTENE|2,4-二甲基-1-戊烯|2,4-Dimethyl-1-pentene

Molecular Formula

C₇H₁₄

Molecular Mass

98.18606

Exact Mass

98.10955045

InChI

InChI=1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3

InChIKey

LXQPBCHJNIOMQU-UHFFFAOYSA-N

Canonic Smiles

CC(CC(=C)C)C

Isomeric Smiles

CC(C)CC(=C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9129617

LogD (pH = 7.4)

2.9129617

Log P

2.9129617

Molar Refractivity

33.6819

Polarizability

13.44952

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

16657

IUPAC Traditional name

2,4-dimethyl-1-pentene

IUPAC name

2,4-dimethylpent-1-ene

Synonyms

2,4-DIMETHYL-1-PENTENE2,4-二甲基-1-戊烯2,4-Dimethyl-1-pentene

CAS Number

2213-32-3

PubChem SID

162097525

MDL Number

MFCD00039854

Safety Information

MSDS Link

Download link

Hazard Class

GHS Hazard statements

H225-H315-H319-H335

Flammable (F)

9-16-23-26-33-37

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

否

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

UN3295

11-36/37/38

Product Information

Download link

99%

Physical Property

1.3995

-16°C(-27°F)

0.69

81°C

No Data Available

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No Data Available

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MP Biomedicals

05223533

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Academic Data

PubChem

16657

IUPAC Traditional name

2,4-dimethyl-1-pentene

IUPAC name

2,4-dimethylpent-1-ene

Synonyms

2,4-DIMETHYL-1-PENTENE2,4-二甲基-1-戊烯2,4-Dimethyl-1-pentene

CAS Number

PubChem SID

MDL Number

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Safety Information

MSDS Link

Download link

Hazard Class

GHS Hazard statements

H225-H315-H319-H335

Flammable (F)

9-16-23-26-33-37

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

否

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

UN3295

11-36/37/38

Product Information

Download link

99%

Physical Property

1.3995

-16°C(-27°F)

0.69

81°C

Irritant (Xi)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Molecule

ID:112334