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244473

4-Octyne

Name: 4-Octyne
Brand: ALDRICH

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About This Item

Linear Formula:

CH₃CH₂CH₂C≡CCH₂CH₂CH₃

CAS Number:

1942-45-6

Molecular Weight:

110.20

NACRES:

NA.22

PubChem Substance ID:

24854679

eCl@ss:

39010412

UNSPSC Code:

12352100

EC Number:

217-730-2

MDL number:

MFCD00009471

Beilstein/REAXYS Number:

1732138

Assay:

99%

Form:

liquid

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Properties

vapor pressure

35 mmHg ( 37.7 °C)

Quality Level

100

assay

99%

form

liquid

refractive index

n20/D 1.425 (lit.)

bp

131-132 °C (lit.)

mp

−103 °C (lit.)

density

0.751 g/mL at 25 °C (lit.)

SMILES string

CCCC#CCCC

InChI

1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

InChI key

GZTNBKQTTZSQNS-UHFFFAOYSA-N

Description

General description

4-Octyne, also known as dipropylethyne can be used as a versatile building block in organic synthesis. The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied.

Application

4-Octyne, an electron-rich dialkylacetylene, was used in the synthesis of highly substituted 1,3-dienes.

pictograms

GHS02,GHS08,GHS07

signalword

Danger

hcodes

H226,H304,H319,H335

pcodes

P210 - P233 - P240 - P301 + P310 - P305 + P351 + P338 - P331

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

84.2 °F - closed cup

flash_point_c

29 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Cyclopentadienone synthesis by rhodium (I)-catalyzed [3+ 2] cycloaddition reactions of cyclopropenones and alkynes

PA Wender, et al.

Journal of the American Chemical Society, 128, 14814-14815 (2006)

Kinetic and spectroscopic studies of the [palladium(Ar-bian)]-catalyzed semi-hydrogenation of 4-octyne.

Alexander M Kluwer et al.

Journal of the American Chemical Society, 127(44), 15470-15480 (2005-11-03)

The kinetics of the stereoselective semi-hydrogenation of 4-octyne in THF by the highly active catalyst [Pd{(m,m'-(CF(3))(2)C(6)H(3))-bian}(ma)] (2) (bian = bis(imino)acenaphthene; ma = maleic anhydride) has been investigated. The rate law under hydrogen-rich conditions is described by r = k[4-octyne](0.65)[Pd][H(2)], showing

Tetrasubstituted olefin synthesis via Pd-catalyzed addition of arylboronic acids to internal alkynes using O2 as an oxidant.

Chengxiang Zhou et al.

The Journal of organic chemistry, 71(8), 3184-3191 (2006-04-08)

The Pd(II)-catalyzed reaction of arylboronic acids and internal alkynes provides a convenient route to a wide variety of tetrasubstituted olefins. The reaction is conducted in DMSO using molecular O2 as an oxidant in the absence of any base. The reaction

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Global Trade Item Number

SKU	GTIN
244473-25G	04061838118721
244473-5G	04061825759975