structure of 3-Hexyn-1-ol

3-Hexyn-1-ol

CAS No.: 1002-28-4
M. Wt: 98.143
M. Fa: C6H10O
InChI Key: ODEHKVYXWLXRRR-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 3-Hexyn-1-ol

CAS Number

1002-28-4

EC Number

213-685-8

MDL Number

MFCD00002957

IUPAC Name

hex-3-yn-1-ol

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3

InChIKey

ODEHKVYXWLXRRR-UHFFFAOYSA-N

Canonical SMILES

CCC#CCCO

UNII

X07KYI4GTH

UNSPSC Code

12352100

Physical and chemical properties of 3-Hexyn-1-ol

Acidity coefficient

14.35±0.10(Predicted)

Boiling Point

158.9±0.0 °C at 760 mmHg

BRN

1735911

Density

0.9±0.1 g/cm3

Exact Mass

98.073166

Flash Point

63.3±0.0 °C

Index of Refraction

1.455

LogP

0.99

Melting Point

-34°C (estimate)

Molecular Formula

C6H10O

Molecular Weight

98.143

PSA

20.23000

Storage condition

2-8°C

Vapour Pressure

0.9±0.6 mmHg at 25°C

Safety Information of 3-Hexyn-1-ol

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 3-Hexyn-1-ol

3-Hexyn-1-ol finds applications across various fields:

  • Flavor and Fragrance Industry: Its derivatives are utilized in creating flavoring agents and perfumes due to their pleasant aroma.
  • Chemical Intermediate: It serves as a precursor for synthesizing other organic compounds, including pharmaceuticals and agrochemicals.
  • Research Tool: In biological studies, it is used to investigate plant emissions and ecological interactions.

Interaction Studies of 3-Hexyn-1-ol

Studies involving 3-Hexyn-1-ol focus on its interactions with various catalysts during hydrogenation processes. Research has shown that using different catalytic systems can affect the selectivity and yield of desired products, such as cis-3-Hexen-1-ol. These findings are crucial for optimizing industrial processes that utilize this compound.

Biological Activity of 3-Hexyn-1-ol

Research indicates that 3-Hexyn-1-ol exhibits biological activity, particularly as a precursor for compounds with potential antimicrobial properties. Its derivatives, such as cis-3-Hexen-1-ol, are known for their role as biogenic volatile organic compounds emitted by plants, contributing to their aroma and potentially influencing ecological interactions.

Physical sample testing spectrum (NMR) of 3-Hexyn-1-ol

Physical sample testing spectrum (NMR) of 3-Hexyn-1-ol

Retrosynthesis analysis of 3-Hexyn-1-ol

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