(±)-Dehydrolinalool - ≥98%(GC) , CAS No.29171-20-8

CAS: 29171-20-8 Cat. No.: D404335 Summenformel: C₁₀H₁₆O Molekulargewicht: 152.24 EG-Nummer: 249-482-6

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-2510794 | 2,6-DIMETHYL-2-OCTEN-7-YN-6-OL | Linalool, dehydro- (6CI) | 2,7-Dimethyl-7-octen-5-yn-4-ol | BBL028245 | MFCD00129075 | CHEBI:171913 | Linalool, dehydro- | D84169 | Q27893849 | 3,7-dimethyl-oct-6-en-1-yn-3-ol, AldrichCPR | 3,7-Dimethyloct-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

EN300-2510794 | 2,6-DIMETHYL-2-OCTEN-7-YN-6-OL | Linalool, dehydro- (6CI) | 2,7-Dimethyl-7-octen-5-yn-4-ol | BBL028245 | MFCD00129075 | CHEBI:171913 | Linalool, dehydro- | D84169 | Q27893849 | 3,7-dimethyl-oct-6-en-1-yn-3-ol, AldrichCPR | 3,7-Dimethyloct-

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504753886
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753886
• Kanonisches Lächeln: CC(=CCCC(C)(C#C)O)C
• IUPAC Name: 3,7-dimethyloct-6-en-1-yn-3-ol
• InChIKey: YWTIDNZYLFTNQQ-UHFFFAOYSA-N
• INCHI: 1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3
• Isomere SMILES: CC(=CCCC(C)(C#C)O)C
• RTECS: RH3586500
• Molekulargewicht: 152.24
• Reaxy-Rn: 1752286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752286&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Alpha,beta-unsaturated carbonyl compounds
          • Ebene6 Alpha,beta-unsaturated ketones
            • Ebene7 Ynones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Ynones
• Alternative Parents: Tertiary alcohols Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynone - Tertiary alcohol - Acetylide - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat Sensitive
• Brechungsindex: 1.46
• Flammpunkt (°C): 80 °C
• Siedepunkt (°C): 198 °C
• Molekulargewicht: 152.230 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Cheng-Long Li, Rui-Ping Zhang, Lu Hou, An-Hui Lu.  (2025)  Pd Supported on Surface Sulfur-Doped Mesoporous Monolithic Carbon to Boost Semihydrogenation of Alkynols.  ChemCatChem,      [PMID:] [10.1002/cctc.202501282]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 29171-20-8, the molecular formula is C10H16O, and the molecular weight is 152.24 g/mol. InChIKey YWTIDNZYLFTNQQ-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.