CAS 589-81-1|3-methylheptane|3-Methylheptane 97%|3-methylheptane|2-ETHYLHEXANE|3-Methylheptane|3-甲基庚烷|3-Methylheptane

Molecular Formula

C₈H₁₈

Molecular Mass

114.22852

Exact Mass

114.14085058

InChI

InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

LAIUFBWHERIJIH-UHFFFAOYSA-N

Canonic Smiles

CCCCC(CC)C

Isomeric Smiles

CCCCC(CC)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.8627257

LogD (pH = 7.4)

3.8627257

Log P

3.8627257

Molar Refractivity

38.5578

Polarizability

15.52291

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

3-methylheptane

Synonyms

3-Methylheptane 97%2-ETHYLHEXANE3-Methylheptane3-甲基庚烷3-Methylheptane

IUPAC name

3-methylheptane

MDL Number

MFCD00027244

Beilstein Number

1730777

Wikipedia Title

3-Methylheptane

Physical Property

Storage Warning

Irritant/Highly Flammable

Risk Statements

R:11-38-50/53-65-67

R11,R38,R50/53,R65,R67

11-38-50/53-65-67

Safety Statements

S:9-16-29-33-60-61

S2,S16,S29,S33

9-16-29-33-60-61-62

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Nature polluting (N)

Harmful (X)

MSDS Link

Download link

GHS Signal Word

DANGER

Danger

GHS Pictograms

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

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

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

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

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Explode Limits

0.98–?%

UN Number

1262

UN1262

EU Index

601-009-00-8

GHS Precautionary statements

210,261,273,301+310,331

P210-P261-P273-P301+P310-P331-P501

P210-P241-P301+P310-P303+P361+P353-P405-P501A

GHS Hazard statements

225,304,315,336,410

H225-H304-H315-H336-H410

H225-H304-H400-H410-H315-H336

RID/ADR

UN 1262 3/PG 2

Packing Group

Personal Protective Equipment

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

Hazard Class

German water hazard class

TSCA Listed

是

Product Information

No Data Available

Click here to submit data

No Data Available

Click here to submit data

MP Biomedicals

05212808

MP Biomedicals Rare Chemical collection

Sigma Aldrich

M47957

Packaging
5 g in ampule

No Data Available

Click here to submit data

IUPAC Traditional name

3-methylheptane

Synonyms

3-Methylheptane 97%2-ETHYLHEXANE3-Methylheptane3-甲基庚烷3-Methylheptane

IUPAC name

3-methylheptane

MDL Number

MFCD00027244

Beilstein Number

1730777

Wikipedia Title

3-Methylheptane

Physical Property

Safety Information

Product Information

MP Biomedicals

05212808

MP Biomedicals Rare Chemical collection

Sigma Aldrich

M47957

Packaging
5 g in ampule

No Data Available

Click here to submit data

Molecule

ID:92471