structure of 2-Heptyn-1-ol

2-Heptyn-1-ol

CAS No.: 1002-36-4
M. Wt: 112.170
M. Fa: C7H12O
InChI Key: OGDYROFIIXDTQK-UHFFFAOYSA-N
Appearance: Colorless to Light orange to Yellow clear liquid

Names and Identifiers of 2-Heptyn-1-ol

CAS Number

1002-36-4

EC Number

600-040-4

MDL Number

MFCD00039541

IUPAC Name

hept-2-yn-1-ol

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-4,7H2,1H3

InChIKey

OGDYROFIIXDTQK-UHFFFAOYSA-N

Canonical SMILES

CCCCC#CCO

UNSPSC Code

12352100

Physical and chemical properties of 2-Heptyn-1-ol

Acidity coefficient

13.02±0.10(Predicted)

Boiling Point

145.4±8.0 °C at 760 mmHg

BRN

1739001

Density

0.9±0.1 g/cm3

Exact Mass

112.088814

Flash Point

49.4±11.4 °C

Index of Refraction

1.457

LogP

1.72

Melting Point

-35.25°C (estimate)

Molecular Formula

C7H12O

Molecular Weight

112.170

PSA

20.23000

Storage condition

2-8°C

Vapour Pressure

1.9±0.6 mmHg at 25°C

Safety Information of 2-Heptyn-1-ol

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2-Heptyn-1-ol

2-Heptyn-1-ol finds applications in various fields:

  • Organic Synthesis: It serves as a building block for synthesizing more complex organic molecules.
  • Flavor and Fragrance Industry: Its characteristic odor makes it useful in creating synthetic flavors and fragrances.
  • Pharmaceuticals: Potential applications in drug development due to its biological activity.

Interaction Studies of 2-Heptyn-1-ol

Interaction studies involving 2-Heptyn-1-ol focus on its reactivity with other compounds and its effects on biological systems. Research indicates that it may interact with various enzymes and receptors, influencing metabolic pathways. Further studies are necessary to fully understand these interactions and their implications for health and safety.

Biological Activity of 2-Heptyn-1-ol

Research indicates that 2-Heptyn-1-ol may exhibit biological activities, including antimicrobial properties. Its ability to influence biological systems is still under investigation, but preliminary studies suggest potential applications in pharmaceuticals due to its unique structure and reactivity. The compound may also have implications in respiratory sensitization, as it can cause allergic reactions when inhaled.

Physical sample testing spectrum (NMR) of 2-Heptyn-1-ol

Physical sample testing spectrum (NMR) of 2-Heptyn-1-ol

Retrosynthesis analysis of 2-Heptyn-1-ol

  • Route#1

    Cas:100-52-7
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  • Route#2

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  • Route#3

    Cas:100859-51-6
    Cas:66-25-1
    Cas:1002-36-4