CAS 513-81-5|2,3-dimethyl-1,3-butadiene|2,3-dimethylbuta-1,3-diene|2,3-DIMETHYL-1,3-BUTADIENE|2,3-二甲基-1,3-丁二烯|2,3-Dimethyl-1,3-butadiene

InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3

SDJHPPZKZZWAKF-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.120747

LogD (pH = 7.4)

2.120747

Log P

2.120747

Molar Refractivity

28.8584

Polarizability

11.380313

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

2,3-dimethyl-1,3-butadiene

2,3-dimethylbuta-1,3-diene

2,3-DIMETHYL-1,3-BUTADIENE2,3-二甲基-1,3-丁二烯2,3-Dimethyl-1,3-butadiene

Certificate of Analysis

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Purity

98%

≥99.5% (GC)

98%, stab. with 100ppm BHT

Linear Formula

CH2=C(CH3)C(CH3)=CH2

Contains

100 ppm BHT as stabilizer

~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer

analytical standard

(limited shelf life, expiry date on the label)

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UN 3295 3/PG 2

Flammable (F)

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05215950

MP Biomedicals Rare Chemical collection

145491

Packaging
10, 50 g in glass bottle

• For examples of use in Diels-Alder reactions, see: Org. Synth. Coll., 3, 310 (1955); 7, 4 (1990). For an asymmetric Diels-Alder reaction catalyzed by a chiral acyloxyborane, see: Org. Synth. Coll., 9, 722 (1998).

• For use in phosphole synthesis, see Dichlorophenylphosphine, A10284.

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

2,3-dimethyl-1,3-butadiene

IUPAC name

2,3-dimethylbuta-1,3-diene

Synonyms

2,3-DIMETHYL-1,3-BUTADIENE2,3-二甲基-1,3-丁二烯2,3-Dimethyl-1,3-butadiene

Registration numbers

CAS Number

513-81-5

PubChem CID

10566

PubChem SID

1620960002484872924864689

MDL Number

Beilstein Number

EC Number

Merck Index

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

145491

Packaging
10, 50 g in glass bottle

References

PubChem Literature

From Data Sources

• For use in phosphole synthesis, see Dichlorophenylphosphine, A10284.

Bioactivity

PubChem BioAssay

GHS Precautionary statements

P210

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

Storage Temperature

2-8°C

UN Number

3295

UN3295

Hazard Class

Risk Statements

11-65

Packing Group

Safety Statements

16-23

9-16-29-33-62

German water hazard class

GHS Pictograms

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

GHS Signal Word

Danger

GHS Hazard statements

H225

H225-H304

Personal Protective Equipment

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

TSCA Listed

是

Vapor Pressure

269 mmHg ( 37.7 °C)

Density

0.726 g/mL at 25 °C(lit.)

0.726

Flash Point

-1 °C

30.2 °F

-1°C(30°F)

European Hazard Symbols

Molecule

ID:110692