2,5-Dimethyl-2-hexene - ≥96%(GC) , CAS No.3404-78-2

CAS: 3404-78-2 Cat. No.: D155272 Formule: C8H16 Poids moléculaire: 112.22 Beilstein Registry Number: 1(4)888 Numéro CE: 678-119-8
DISPONIBLE À COMMANDE
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
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
D155272-1ml
2 En stock
9 En stock
44,17€
5ml
D155272-5ml
—
1 En stock
199,49€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonymes
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
Spécifications et pureté
≥96%(GC)
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Pureté
≥96%(GC)
Noms et identifiants
Pubchem Sid488182511
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182511
Sourires canoniquesCC(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
Isomères SMILES CC(C)CC=C(C)C
Poids moléculaire 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.

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassHydrocarbons
ClasseUnsaturated 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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 TypeDateArticle
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
Propriétés chimiques et physiques
Indice de réfraction1.42
Point d'éclair (°F)11°C(lit.)
Point d'éclair (°C)11°C(lit.)
Point d'ébullition (°C)113°C(lit.)
Poids moléculaire112.210 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
Références
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]
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

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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