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244465

1-Octyne

Name: 1-Octyne
Brand: ALDRICH

97%

Synonym(s):

1-Ethynylhexane, Hexylacetylene, n-Hexylacetylene

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About This Item

Linear Formula:

CH₃(CH₂)₅C≡CH

CAS Number:

629-05-0

Molecular Weight:

110.20

NACRES:

NA.22

PubChem Substance ID:

24854678

eCl@ss:

39010411

UNSPSC Code:

12352100

MDL number:

MFCD00009546

Beilstein/REAXYS Number:

1734494

Assay:

97%

Form:

liquid

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Properties

vapor pressure

37.7 mmHg ( 37.7 °C)

Quality Level

100

assay

97%

form

liquid

impurities

≤3% 1-bromohexane

refractive index

n20/D 1.416 (lit.)

bp

127-128 °C (lit.)

mp

−80 °C (lit.)

density

0.747 g/mL at 25 °C (lit.)

SMILES string

CCCCCCC#C

InChI

1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3

InChI key

UMIPWJGWASORKV-UHFFFAOYSA-N

Description

Application

1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase).

pictograms

GHS02,GHS08

signalword

Danger

hcodes

H225,H304

pcodes

P210 - P233 - P240 - P241 - P301 + P310 - P331

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

60.8 °F - closed cup

flash_point_c

16 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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Cyclic(Alkyl)(Amino)Carbene (CAAC)-Supported Zn Alkyls: Synthesis, Structure and Reactivity in Hydrosilylation Catalysis.

Jean-Charles Bruyere et al.

Chemistry (Weinheim an der Bergstrasse, Germany), 25(34), 8061-8069 (2019-03-26)

The reactivity of ZnII dialkyl species ZnMe2 with a cyclic(alkyl)(amino)carbene, 1-[2,6-bis(1-methylethyl)phenyl]-3,3,5,5-tetramethyl-2-pyrrolidinylidene (CAAC, 1), was studied and extended to the preparation of robust CAAC-supported ZnII Lewis acidic organocations. CAAC adduct of ZnMe2 (2), formed from a 1:1 mixture of 1 and

Fast RNA conjugations on solid phase by strain-promoted cycloadditions.

Ishwar Singh et al.

Organic & biomolecular chemistry, 10(33), 6633-6639 (2012-07-04)

Strain promoted cycloaddition is presented as a tool for RNA conjugation on the solid phase; RNA-cyclooctyne conjugates are prepared by cycloaddition to both azide (strain-promoted azide-alkyne cycloaddition, SPAAC) and nitrile oxide dipoles (strain-promoted nitrile oxide-alkyne cycloaddition, SPNOAC). The conjugation is

Metabolic activation of acetylenes. Covalent binding of [1,2-14C]octyne to protein, DNA and haem in vitro and the protective effects of certain thiol compounds.

I N White et al.

The Biochemical journal, 220(1), 85-94 (1984-05-15)

[1,2-14C]Oct-l-yne was used to investigate metabolic activation of the ethynyl substituent in vitro. Activation of octyne by liver microsomal cytochrome P-450-dependent enzymes gave intermediate(s) that bound covalently to protein, DNA and to haem. The time course and extent of covalent

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Global Trade Item Number

SKU	GTIN
244465-25G	04061825759968
244465-100G	04061825759951