CAS 583-57-3|1,2-dimethylcyclohexane|1,2-dimethylcyclohexane|1,2-DIMETHYLCYCLOHEXANE, cis-trans|1,2-二甲基环己烷，顺反异构体混合物|Hexahydro-o-xylene|1,2-二甲基环己烷|1,2-Dimethylcyclohexane|1,2-Dim...

Molecular Formula

C₈H₁₆

Molecular Mass

112.21264

Exact Mass

112.12520051

InChI

InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3

InChIKey

KVZJLSYJROEPSQ-UHFFFAOYSA-N

Canonic Smiles

CC1CCCCC1C

Isomeric Smiles

CC1CCCCC1C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.24145

LogD (pH = 7.4)

3.24145

Log P

3.24145

Molar Refractivity

36.7032

Polarizability

14.776336

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

11416

IUPAC Traditional name

1,2-dimethylcyclohexane

IUPAC name

1,2-dimethylcyclohexane

Synonyms

1,2-DIMETHYLCYCLOHEXANE, cis-trans1,2-二甲基环己烷，顺反异构体混合物Hexahydro-o-xylene1,2-二甲基环己烷1,2-Dimethylcyclohexane1,2-Dimethylcyclohexane, mixture of cis and trans六氢邻二甲苯1,2-二甲基环己烷, 顺式+反式1,2-Dimethylcyclohexane, cis + trans

MDL Number

MFCD00064172

Beilstein Number

1900320

Product Information

Safety Information

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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

Physical Property

No Data Available

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No Data Available

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MP Biomedicals

05215052

MP Biomedicals Rare Chemical collection

Sigma Aldrich

D153001

Packaging
100 g in glass bottle

No Data Available

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Academic Data

PubChem

11416

IUPAC Traditional name

1,2-dimethylcyclohexane

IUPAC name

1,2-dimethylcyclohexane

Synonyms

MDL Number

Beilstein Number

MP Biomedicals Rare Chemical collection

Sigma Aldrich

D153001

Packaging
100 g in glass bottle

No Data Available

Click here to submit data

Product Information

Safety Information

Download link

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

Physical Property

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

GHS Signal Word

Danger

UN Number

2263

UN2263

German water hazard class

GHS Hazard statements

H225-H304

H225-H304-H336

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Harmful (X)

Packing Group

RID/ADR

UN 2263 3/PG 2

Safety Statements

9-16-33-62

33-36

GHS Precautionary statements

P210-P301+P310-P331

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

Hazard Class

Personal Protective Equipment

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

Risk Statements

11-65

11-65-67

TSCA Listed

否

0.793 g/mL at 20 °C(lit.)

Boiling Point

124 °C(lit.)

127-130 °C(lit.)

123-124°C

Molecule

ID:110448