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Merck

244465

1-Octyne

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

Key Documents

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InChI

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

SMILES string

CCCCCCC#C

InChI key

UMIPWJGWASORKV-UHFFFAOYSA-N

vapor pressure

37.7 mmHg ( 37.7 °C)

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.)

Quality Level

100

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Application

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

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

hcodes

H225,H304

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ9611
MKCQ9610
MKCP7308
MKCM5504
MKCJ6937

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D L Kline et al.
Medical and veterinary entomology, 21(4), 323-331 (2007-12-21)
Field studies were conducted at wooded wetlands in Gainesville, FL, U.S.A., to assess responses of natural populations of adult mosquitoes (Diptera: Culicidae) to American Biophysics MM-X and Coleman MD-2500 traps baited with enantiomers of 1-octen-3-ol, a naturally occurring compound, and
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
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
Alkyne-stabilized ruthenium nanoparticles: manipulation of intraparticle charge delocalization by nanoparticle charge States.
Xiongwu Kang et al.
Angewandte Chemie (International ed. in English), 49(49), 9496-9499 (2010-10-30)
Joseph J Pesek et al.
Journal of chromatography. A, 992(1-2), 57-65 (2003-05-09)
The silanization/hydrosilation method is used to bond an alkyne (1-octyne) to a silica hydride surface. The new bonded material is characterized by elemental analysis and diffuse reflectance infrared Fourier transform spectroscopy. The hydrophobic behavior of this material was determined by
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