Cas no 1000-87-9 (2,3-Pentadiene,2,4-dimethyl-)

2,3-Pentadiene, 2,4-dimethyl- is a branched-chain allene compound characterized by its unique cumulated diene structure. This molecule features two adjacent double bonds at the C2 and C3 positions, with methyl substituents at the C2 and C4 positions, influencing its reactivity and steric properties. Its structural configuration makes it a valuable intermediate in organic synthesis, particularly for cycloaddition reactions and the preparation of complex cyclic frameworks. The compound's stability and selectivity in [2+2] and [4+2] cycloadditions are notable, offering utility in fine chemical and pharmaceutical applications. Careful handling is recommended due to potential sensitivity to air and moisture.
2,3-Pentadiene,2,4-dimethyl- structure
2,3-Pentadiene,2,4-dimethyl- structure
Product Name:2,3-Pentadiene,2,4-dimethyl-
CAS No:1000-87-9
MF:C7H12
MW:96.1701822280884
CID:172263
Update Time:2025-05-25

2,3-Pentadiene,2,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,3-Pentadiene,2,4-dimethyl-
    • TETRAMETHYLALLENE
    • 2,4-dimethylpenta-2,3-diene
    • 1,1,3,3-tetramethylallene
    • 1,1,3,3-tetramethylpropadiene
    • 1,3,3-Tetramethylallene
    • 2,2,4-dimethyl
    • 2,3-Pentadiene,2,4-dimethyl
    • 2,4-Dimethyl-2,3-pentadiene
    • 2,4-dimethyl-2,3-pentandiene
    • 2,4-dimethyl-penta-2,3-diene
    • Allene,tetramethyl
    • allene,tetramethyl-
    • (CH3)2C=C=C(CH3)2
    • Allene, tetramethyl-
    • Inchi: 1S/C7H12/c1-6(2)5-7(3)4/h1-4H3
    • InChI Key: DZSNJASVIURWOG-UHFFFAOYSA-N
    • SMILES: C(=C=C(C)C)(C)C

Computed Properties

  • Exact Mass: 96.09390
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 86.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.701?g/mL?at 25?°C(lit.)
  • Melting Point: -105.67°C (estimate)
  • Boiling Point: 87-88?°C(lit.)
  • Flash Point: 10?°F
  • Refractive Index: n20/D 1.440(lit.)
  • PSA: 0.00000
  • LogP: 2.51770
  • Solubility: Not determined

2,3-Pentadiene,2,4-dimethyl- Security Information

  • Hazardous Material transportation number:UN 3295 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-36/37/38-65
  • Safety Instruction: S16; S26; S33; S36; S62; S7/9
  • Hazardous Material Identification: F Xn
  • Packing Group:II
  • Hazard Level:3.1
  • Safety Term:3.1
  • Packing Group:II
  • Risk Phrases:R11; R36/37/38; R65
  • HazardClass:3.1
  • PackingGroup:II

2,3-Pentadiene,2,4-dimethyl- Customs Data

  • HS CODE:2901299090
  • Customs Data:

    China Customs Code:

    2901299090

    Overview:

    2901299090 Other unsaturated acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported

    Summary:

    2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

2,3-Pentadiene,2,4-dimethyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T38760-1g
2,4-dimethylpenta-2,3-diene
1000-87-9 97%
1g
¥3958.0 2023-09-06

2,3-Pentadiene,2,4-dimethyl- Related Literature

Additional information on 2,3-Pentadiene,2,4-dimethyl-

Comprehensive Overview of 2,3-Pentadiene,2,4-dimethyl- (CAS No. 1000-87-9): Properties, Applications, and Industry Insights

2,3-Pentadiene,2,4-dimethyl- (CAS No. 1000-87-9) is a specialized organic compound belonging to the class of dienes, characterized by its unique molecular structure featuring two double bonds and methyl substituents. This compound has garnered attention in both academic research and industrial applications due to its versatile reactivity and potential as a building block for more complex chemical syntheses. In recent years, the growing demand for fine chemicals and specialty intermediates has driven interest in compounds like 2,3-Pentadiene,2,4-dimethyl-, particularly in sectors such as flavor and fragrance manufacturing, pharmaceutical synthesis, and material science.

The molecular formula of 2,3-Pentadiene,2,4-dimethyl- is C7H12, and its structure consists of a five-carbon chain with two double bonds at the 2,3-positions and methyl groups at the 2,4-positions. This arrangement imparts distinct steric and electronic properties, making it a valuable candidate for Diels-Alder reactions and other cycloaddition processes. Researchers have explored its utility in synthesizing cyclic compounds and heterocycles, which are pivotal in drug discovery and agrochemical development. A frequently asked question in forums and search engines is: "What are the industrial uses of 2,3-Pentadiene derivatives?"—highlighting the compound's relevance in modern chemistry.

From an environmental and sustainability perspective, 2,3-Pentadiene,2,4-dimethyl- aligns with the broader trend toward green chemistry. Its potential as a precursor for bio-based polymers has been investigated, addressing the global push for reducing reliance on fossil fuels. Additionally, its role in catalysis and asymmetric synthesis has been documented, with studies focusing on optimizing yield and selectivity under mild conditions. Searches like "biodegradable materials from dienes" or "sustainable chemical intermediates" reflect the public's growing curiosity about eco-friendly alternatives, further underscoring the compound's significance.

In the flavor and fragrance industry, 2,3-Pentadiene,2,4-dimethyl- contributes to the synthesis of terpenes and aromatic compounds, which are essential for creating natural-like scents and tastes. Its ability to undergo isomerization and oxidation reactions allows for the production of diverse olfactory profiles, catering to consumer preferences for clean-label ingredients. This application is particularly relevant given the surge in searches for "natural fragrance additives" and "safe synthetic flavors."

Analytical techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) are routinely employed to characterize 2,3-Pentadiene,2,4-dimethyl-, ensuring purity and consistency for industrial use. Quality control remains a critical topic, as evidenced by queries like "How to test diene purity?" or "NMR spectra interpretation for pentadienes." These discussions emphasize the need for standardized protocols in handling and analyzing such compounds.

Looking ahead, the demand for 2,3-Pentadiene,2,4-dimethyl- is expected to rise, driven by innovations in catalysis, material science, and sustainable chemistry. Its compatibility with flow chemistry systems and continuous manufacturing processes positions it as a candidate for scalable production. As industries increasingly prioritize circular economy principles, compounds like this will play a pivotal role in bridging the gap between laboratory research and commercial viability.

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