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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:
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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCW8598
MKCW3647
MKCW2689
MKCT1750
MKCV2989

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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
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
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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