2,5-ジメチル-2-ヘキセン類 - ≥96%以上(GC) , CAS No.3404-78-2

CAS: 3404-78-2 Cat. No.: D155272 分子式: C8H16 分子量: 112.22 Beilstein Registry Number: 1(4)888 EC番号: 678-119-8
注文可能
GRADE & PURITY ≥96%(GC)
Synonyms
2,5-DIMETHYL-2-HEXENE | 2-Hexene, 2,5-dimethyl- | D89989 | 2,5-dimethyl-hex-2-ene | 2,5-dimethylhex-2-ene | UNII-9X0D0DC5MZ | 9X0D0DC5MZ | DTXSID50871025 | VFZIUYUUQFYZBR-UHFFFAOYSA-N | MFCD00026436 | NSC74164 | NSC-74164 | D2076 | AKOS025295184 | Q272733
Storage
Room temperature
Shipped In
ノーマル
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Size
USA
ドイツ (EU)*
Price
Qty
1ml
D155272-1ml
9 在庫あり
2 在庫あり
$50.90
5ml
D155272-5ml
1 在庫あり
—
$229.90
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Why this grade

≥96%以上(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships ノーマル Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語
2,5-DIMETHYL-2-HEXENE | 2-Hexene, 2,5-dimethyl- | D89989 | 2,5-dimethyl-hex-2-ene | 2,5-dimethylhex-2-ene | UNII-9X0D0DC5MZ | 9X0D0DC5MZ | DTXSID50871025 | VFZIUYUUQFYZBR-UHFFFAOYSA-N | MFCD00026436 | NSC74164 | NSC-74164 | D2076 | AKOS025295184 | Q272733
仕様と純度
≥96%以上(GC)
保管条件
Room temperature
入荷
ノーマル
純度
≥96%(GC)
名前と識別子
パブケム・シド488182511
パブケム・シド・ウルhttps://pubchem.ncbi.nlm.nih.gov/substance/488182511
カノニカル・スマイルCC(C)CC=C(C)C
IUPAC Name2,5-dimethylhex-2-ene
InChIKeyVFZIUYUUQFYZBR-UHFFFAOYSA-N
INCHI1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3
異性体SMILES CC(C)CC=C(C)C
分子量 112.22
Beilstein 1(4)888
Reaxy-Rn 1732130
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732130&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassHydrocarbons
分類Unsaturated hydrocarbons
SubclassBranched unsaturated hydrocarbons
Intermediate Tree Nodes Not available
Direct ParentBranched unsaturated hydrocarbons
Alternative Parents Unsaturated aliphatic hydrocarbons  Alkenes  
Molecular FrameworkAliphatic acyclic compounds
Substituents Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
説明This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate Type日付商品
D2630162Certificate of AnalysisMar 19, 2026 D155272
D2630163Certificate of AnalysisMar 19, 2026 D155272
A2206455Certificate of AnalysisOct 13, 2025 D155272
K1807068Certificate of AnalysisSep 13, 2022 D155272
D2307360Certificate of AnalysisDec 15, 2021 D155272
F2329217Certificate of AnalysisDec 15, 2021 D155272
化学的性質と物理的性質
屈折率1.42
引火点(°F)11°C(lit.)
引火点(°C)11°C(lit.)
沸点(°C)113°C(lit.)
分子量112.210 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass112.125 Da
Monoisotopic Mass112.125 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
参考文献
1. Kang Yuan, Hao Li, Rui Zuo, Baiqin Gan, Chengjia Xiong.  (2023)  Highly Sensitive Detection of Isomers through Dynamic Reflection Spectroscopy Based on Simple Amorphous Photonic Crystals.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c04812]
2. Yulian Wang, Yahui Peng, Chao Wang, Yao Le, Chengjia Xiong.  (2023)  Bio-inspired structural colors prepared by using hollow mesoporous silica spheres and carbon black.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2023.113808]
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よくある質問

What is the purity of this product, and how is it determined?
This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 3404-78-2, the molecular formula is C8H16, and the molecular weight is 112.22 g/mol. InChIKey VFZIUYUUQFYZBR-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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