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
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
Related Categories
Application
1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase).
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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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
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
Isaac S Marks et al.
Bioconjugate chemistry, 22(7), 1259-1263 (2011-05-05)
1,3-Dipolar [3 + 2] cycloaddition between azides and alkynes--an archetypal "click" chemistry--has been used increasingly for the functionalization of nucleic acids. Copper(I)-catalyzed 1,3-dipolar cycloaddition reactions between alkyne-tagged DNA molecules and azides work well, but they require optimization of multiple reagents
Hernan Alonso et al.
Applied and environmental microbiology, 78(22), 7946-7953 (2012-09-04)
The alkane hydroxylase system of Pseudomonas putida GPo1 allows it to use alkanes as the sole source of carbon and energy. Bacterial alkane hydroxylases have tremendous potential as biocatalysts for the stereo- and regioselective transformation of a wide range of
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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