2,3-Dimethyl-1,3-butadiene
Product Information
Molecular Formula
C6H10
Molecular Weight
82.14
Description
2,3-Dimethyl-1,3-butadiene (CAS# 513-81-5) is a useful building block for organic synthesis.
Synonyms
2,3-dimethylbuta-1,3-diene
IUPAC Name
2,3-dimethylbuta-1,3-diene
SMILES
CC(=C)C(=C)C
InChI
InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3
InChI Key
SDJHPPZKZZWAKF-UHFFFAOYSA-N
Boiling Point
68 °C
Flash Point
-1 °C
Purity
> 98.0 % (GC)
Density
0.73 g/cm3
Appearance
Colorless to almost colorless clear liquid
Application
Found in the 66-70 deg fraction of Puertollano shale oil; Used to make synthetic rubber and polymers.
Storage
< 0 °C
Refractive Index
1.44
LogP
2.13860
Vapor Pressure
152.0 [mmHg]
Safety Information
Hazards
H225:
Highly flammable liquid and vapour.
Highly flammable liquid and vapour.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Signal Word
Danger
Computed Properties
XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
82.078250319 g/mol
Monoisotopic Mass
82.078250319 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
66
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022040214-A | Resin composition | 2022-01-05 |
| CN-114058008-A | Process for preparing semi-aromatic polyamides end-capped with monocarboxylic acids, semi-aromatic polyamides and molding compositions | 2021-12-13 |
| CN-114058009-A | Process for preparing semi-aromatic polyamides with reduced loss of diamine monomer, semi-aromatic polyamides and molding compositions | 2021-12-13 |
| CN-114058010-A | Process for preparing low-energy semiaromatic polyamides, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-114133559-A | Process for preparing semiaromatic polyamides with reduced salt formation cycle, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-114133560-A | Process for preparing semiaromatic polyamides with improved impact strength, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-114160194-A | Preparation method and application of eutectic solvent for catalyzing alcohol dehydration | 2021-12-07 |
| JP-2022022280-A | Isomerization method of allyl compound | 2021-11-25 |
| JP-2022022261-A | Resin composition | 2021-11-22 |
| CN-113926491-A | Self-adhesive composite nanogel suitable for anhydrous environment and preparation method thereof | 2021-11-17 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22708610 | 2012-07-25 | Two-electron redox chemistry at the dinuclear core of a TePt platform: chlorine photoreductive elimination and isolation of a Te(V)Pt(I) complex | Journal of the American Chemical Society |
| 22589859 | 2012-04-01 | trans-Dichloridobis(triphenyl-phosphane-κP)palladium(II) benzene hemisolvate | Acta crystallographica. Section E, Structure reports online |
| 21995489 | 2011-11-10 | Kinetics studies of the gas-phase reactions of NO3 radicals with series of 1-alkenes, dienes, cycloalkenes, alkenols, and alkenals | The journal of physical chemistry. A |
| 21882314 | 2011-10-04 | Cobalt-catalyzed 1,4-hydrobutadienylation of 1-aryl-1,3-dienes with 2,3-dimethyl-1,3-butadiene | Angewandte Chemie (International ed. in English) |
| 21866926 | 2011-09-16 | DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation | Organic letters |
| 21299209 | 2011-03-02 | 1-arsa-3-germaallene Tip(t-Bu)Ge═C═AsMes*: the heaviest mixed group 14 and 15 heteroallenic compound | Journal of the American Chemical Society |
| 20927479 | 2010-12-21 | The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions | Organic & biomolecular chemistry |
| 20733993 | 2010-10-21 | Unsuccessful attempts to add alcohols to transient 2-amino-2-siloxy-silenes - leading to a new benign route for base-free alcohol protection | Dalton transactions (Cambridge, England : 2003) |
| 20704430 | 2010-08-20 | Synthesis, characterization, mechanism of decomposition, and antiproliferative activity of a class of PEGylated benzopolysulfanes structurally similar to the natural product varacin | The Journal of organic chemistry |
| 20204213 | 2010-03-21 | Kinetics and regioselectivity in the Diels-Alder reaction of fulleroids vs. methanofullerene and C60 | Organic & biomolecular chemistry |
