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Merck
CN

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:
Molecular Weight:
110.20
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39010411
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
1734494
Assay:
97%
Form:
liquid
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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

Application

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

pictograms

FlameHealth hazard

signalword

Danger

hcodes

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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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
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
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
Timothy N Waltham et al.
Metallomics : integrated biometal science, 3(4), 369-378 (2011-03-25)
Bacillus megaterium flavocytochrome P450 BM3 (BM3) is a high activity fatty acid hydroxylase, formed by the fusion of soluble cytochrome P450 and cytochrome P450 reductase modules. Short chain (C6, C8) alkynes were shown to be substrates for BM3, with productive

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