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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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
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
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
Yujie Men et al.
Water research, 109, 217-226 (2016-11-30)
Improved micropollutant (MP) biotransformation during biological wastewater treatment has been associated with high ammonia oxidation activities, suggesting co-metabolic biotransformation by ammonia oxidizing bacteria as an underlying mechanism. The goal of this study was to clarify the contribution of ammonia oxidizing
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