CAS 583-48-2|3,4-dimethylhexane|3,4-dimethylhexane|3,4-DIMETHYL HEXANE|3,4-二甲基己烷|3,4-Dimethylhexane|3,4-二甲基正己烷

InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3

RNTWWGNZUXGTAX-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

3.705176

LogD (pH = 7.4)

3.705176

Log P

3.705176

Molar Refractivity

38.5054

Polarizability

15.52291

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

3,4-DIMETHYL HEXANE3,4-二甲基己烷3,4-Dimethylhexane3,4-二甲基正己烷

Certificate of Analysis

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Linear Formula

CH3CH2CH(CH3)CH(CH3)CH2CH3

Purity

97%

≥99.0% (GC)

Shelf Life

(limited shelf life, expiry date on the label)

analytical standard

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Harmful (Xn)

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118419

Packaging
1, 5 g in ampule

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Names and Identifiers

IUPAC name

3,4-dimethylhexane

IUPAC Traditional name

3,4-dimethylhexane

Synonyms

3,4-DIMETHYL HEXANE3,4-二甲基己烷3,4-Dimethylhexane3,4-二甲基正己烷

Registration numbers

CAS Number

583-48-2

PubChem SID

1620981322484737224865293

PubChem CID

MDL Number

Beilstein Number

EC Number

Molecule Details

118419

Packaging
1, 5 g in ampule

Data Source

Commercial Catalog

Academic Data

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Flammable (F)

Nature polluting (N)

GHS Pictograms

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

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

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

GHS Signal Word

Danger

GHS Precautionary statements

P210-P261-P301+P310-P305+P351+P338-P331

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

Safety Statements

16-26-36-62

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

Packing Group

UN Number

1262

UN1262

Personal Protective Equipment

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

GHS Hazard statements

H225-H304-H315-H319-H335

H225-H304-H400-H410-H315-H336

German water hazard class

Hazard Class

Risk Statements

11-36/37/38-65

11-38-50/53-65-67

RID/ADR

UN 1262 3/PG 2

TSCA Listed

是

Density

0.72 g/mL at 25 °C(lit.)

0.72

European Hazard Symbols

Molecule

ID:112092