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Safety Information

244465

Sigma-Aldrich

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
Beilstein:
1734494
MDL number:
MFCD00009546
UNSPSC Code:
12352100
eCl@ss:
39010411
PubChem Substance ID:
24854678
NACRES:
NA.22

vapor pressure

37.7 mmHg ( 37.7 °C)

Quality Level

100

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.)

SMILES string

CCCCCCC#C

InChI

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

InChI key

UMIPWJGWASORKV-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

WGK

WGK 3

Flash Point(F)

60.8 °F

Flash Point(C)

16 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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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
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
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