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
Canonical 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 ℃
Flash Point
-1 ℃
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 ℃
Refractive Index
1.44
LogP
2.13860
Vapor Pressure
152.0 [mmHg]

Safety Information

Hazards
H225:
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.
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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