2,3-dimethylbut-2-ene

• ChemBase ID: 78371
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CC(=C(C)C)C
• Canonical SMILES: CC(=C(C)C)C
• InChI: InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3
• InChIKey: WGLLSSPDPJPLOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylbut-2-ene
• IUPAC Traditional name: 2,3-dimethyl-2-butene
• Synonyms: 2,3-Dimethyl-2-butene solution; 2,3-DIMETHYL-2-BUTENE; 2,3-Dimethyl-2-butene; Tetramethylethylene; 2,3-dimethylbut-2-ene; Tetramethylethylene; 2,3-Dimethyl-2-butene; 2,3-Dimethylbut-2-ene; Tetramethylethylene; 2,3-二甲基-2-丁烯 溶液; 四甲基乙烯; 四甲基乙烯; 2,3-二甲基-2-丁烯

Database IDs

• CAS Number: 563-79-1
• EC Number: 209-263-8
• MDL Number: MFCD00008897
• Beilstein Number: 1361357
• PubChem SID: 24858318; 162043140; 24847892; 24853167
• PubChem CID: 11250

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3668015
• LogD (pH = 7.4): 2.3668015
• Log P: 2.3668015
• Molar Refractivity: 29.8868 cm^3
• Polarizability: 11.603333 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -75 °C(lit.); -75°C; -75°C
• Boiling Point: 72-73°C; 72-73°C; 73 °C(lit.); 73°C
• Flash Point: -16°C; 17.6 °F; -17°C(1°F); -21 °C; -5 °F; -8 °C
• Auto Ignition Point: 754 °F
• Density: 0.705; 0.708; 0.708 g/mL at 25 °C(lit.); 0.857 g/mL at 25 °C
• Refractive Index: 1.412; 1.4120; n20/D 1.412(lit.); n20/D 1.413
• Vapor Pressure: 215 mmHg ( 37.7 °C)
• Hydrophobicity(logP): 3.124

Safety Information

• Storage Warning: Air Sensitive; Highly Flammable/Harmful/Air Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1993; 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19-22-36/37/38; 11-65; R:11
• Safety Statements: 16-26-36/37/39; 16-33-62; 9-16-29-33-62; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2; UN 3295 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); ≥99%; 95%; 97%; 98%
• Concentration: 1.0 M in THF
• Grade: purum
• Linear Formula: (CH3)2C=C(CH3)2

DETAILS

MP Biomedicals - 05210077

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 129259

Packaging
1 L in glass bottle
25, 100 mL in glass bottle

Sigma Aldrich - 220159

Packaging
25, 100 mL in ampule
Application
Substrate in photoinduced molecular transformations involving 2-hydroxy-1,4-naphthoquinones.1

Sigma Aldrich - 304034

Application
Used for the preparation of thexylborane.
Packaging
100 mL in Sure/Seal™

REFERENCES

• Precursor of the sterically hindered hydroborating reagent, "thexylborane", introduced by Brown: J. Am. Chem. Soc., 94, 3561 (1972). For review of its chemistry, see: Synthesis, 77 (1974). This reagent should be freshly prepared since it rearranges on standing to 2,3-dimethyl-1-butylborane.