CAS 79-29-8|2,3-dimethylbutane|2,3-dimethylbutane|DIISOPROPYL|2,3-Dimethylbutane|2,3-Dimethylbutane|Diisopropyl|二异丙基|2,3-二甲基丁烷|1,1,2,2-tetramethylethane|butane, 2,3-dimethyl-|2,3-dimethylbu...

Molecular Formula

C₆H₁₄

Molecular Mass

86.17536

Exact Mass

86.10955045

InChI

InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3

InChIKey

ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

Canonic Smiles

CC(C(C)C)C

Isomeric Smiles

CC(C)C(C)C

JChem

LogD (pH = 7.4)

2.82

LogD (pH = 5.5)

2.82

Log P

2.82

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Polar Surface Area

0.00

Polarizability

11.92

Molar Refractivity

29.30

LOG S

-2.82

IUPAC name

2,3-dimethylbutane

IUPAC Traditional name

2,3-dimethylbutane

Synonyms

DIISOPROPYL2,3-Dimethylbutane2,3-DimethylbutaneDiisopropyl二异丙基2,3-二甲基丁烷1,1,2,2-tetramethylethanebutane, 2,3-dimethyl-2,3-dimethylbutanebiisopropyldiisopropyl23DMB

Wikipedia Title

Chemspider ID

Beilstein Number

MDL Number

BRENDA Ligand Database

CHEBI ID

BKMS React Database

NMRShiftDB Database

PubMed Citation Links

281893072958721610537377

Reaxys Registry

ACToR Database

SureChEMBL Database

CompTox Database

Patent number

BRENDA Database

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Nature polluting (N)

Harmful (X)

MSDS Link

Download link

RTECS

EJ9350000

Safety Statements

S:9-16-29

S2,S16,S29,S33

9-16-29-33-61-62

16-23-33-62

Risk Statements

R:11

R11,R38,R65,R67,R51/53

11-38-51/53-65-67

11-65

Explode Limits

1.2–7.7%

~7.7 %

EU Index

601-007-00-7

GHS Pictograms

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

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

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

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

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

GHS Signal Word

DANGER

Danger

UN Number

2457

UN2457

GHS Precautionary statements

210,261,273,301+310,331

P210-P261-P273-P301+P310-P331

P210-P301+P310-P331

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

GHS Hazard statements

225,304,315,336,411

H225-H304-H315-H336-H411

H225-H304

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

Hazard Class

Packing Group

German water hazard class

RID/ADR

UN 2457 3/PG 2

TSCA Listed

是

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

Click here to submit data

MP Biomedicals

05204035

MP Biomedicals Rare Chemical collection

Sigma Aldrich

D151602

Packaging
100, 500 mL in glass bottle

ChEBI

CHEBI:141560

An alkane that is butane substituted by a methyl group at positions 2 and 3.

No Data Available

Click here to submit data

IUPAC name

2,3-dimethylbutane

IUPAC Traditional name

2,3-dimethylbutane

Synonyms

DIISOPROPYL2,3-Dimethylbutane2,3-DimethylbutaneDiisopropyl二异丙基2,3-二甲基丁烷1,1,2,2-tetramethylethanebutane, 2,3-dimethyl-2,3-dimethylbutanebiisopropyldiisopropyl23DMB