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273643

Sigma-Aldrich

2-Octynal

97%

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About This Item

Linear Formula:
CH3(CH2)4C≡CCHO
CAS Number:
1846-68-0
Molecular Weight:
124.18
EC Number:
217-427-5
MDL number:
MFCD00134098
UNSPSC Code:
12352100
PubChem Substance ID:
24856546
NACRES:
NA.22

assay

97%

form

liquid

refractive index

n20/D 1.454 (lit.)

bp

74-76 °C/15 mmHg (lit.)

density

0.871 g/mL at 25 °C (lit.)

SMILES string

CCCCCC#CC=O

InChI

1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3

InChI key

DUUGWLGPIZCNLM-UHFFFAOYSA-N

Application

2-Octynal was used in the synthesis of (R)- and (S)-argentilactone via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H317,H400

Hazard Classifications

Aquatic Acute 1 - Skin Sens. 1

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

154.4 °F - closed cup

flash_point_c

68 °C - closed cup

Certificates of Analysis (COA)

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Angelo de Fatima et al.
Bioorganic & medicinal chemistry, 12(20), 5437-5442 (2004-09-25)
Concise total syntheses of (R)- and (S)-argentilactone have been developed via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways (four steps, 39% overall yield and 82-84% ee) from 2-octynal and their in vitro activity against cancer cells is described.

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