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Merck

244422

1-Hexyne

97%

Synonym(s):

Butylacetylene, n-Butylacetylene

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About This Item

Linear Formula:
CH3(CH2)3C≡CH
CAS Number:
693-02-7
Molecular Weight:
82.14
NACRES:
NA.22
PubChem Substance ID:
24854675
eCl@ss:
39010407
UNSPSC Code:
12352100
EC Number:
211-736-9
MDL number:
MFCD00009504
Beilstein/REAXYS Number:
635687
Assay:
97%
Form:
liquid

Key Documents

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InChI key

CGHIBGNXEGJPQZ-UHFFFAOYSA-N

InChI

1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3

SMILES string

CCCCC#C

vapor pressure

253 mmHg ( 37.7 °C)

assay

97%

form

liquid

impurities

<2% 1-bromobutane

Quality Level

100

refractive index

n20/D 1.399 (lit.)

bp

71-72 °C (lit.)

mp

−132 °C (lit.)

density

0.715 g/mL at 25 °C (lit.)

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General description

1-Hexyne reacted with thianthrene cation radical tetrafluoroborate to form trans-1,2-bis(5-thianthreniumyl)alkene tetrafluoroborate.

Application

1-Hexyne was used in the synthesis of a tricyclic isoindolinone scaffold by undergoing hydrozirconation and ring-closing metathesis (RCM).

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-4.0 °F - closed cup

flash_point_c

-20 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water insoluble liquid

fsl

244422-100ML: + 244422-VAR: + 244422-BULK: + 244422-25ML:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ8565
MKCQ3795
MKCM2572
MKCL4398
MKCJ3625

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Bettina Miller et al.
Beilstein journal of organic chemistry, 8, 1091-1097 (2012-09-29)
Hydrozirconation of 1-hexyne, the addition to in situ prepared N-acyliminium species, and ring-closing metathesis (RCM) were key steps in the preparation of a tricyclic isoindolinone scaffold. An unusual alkene isomerization process during the RCM was identified and studied in some
Mauricio M Victor et al.
Medicinal chemistry (Shariqah (United Arab Emirates)), 15(4), 400-408 (2018-10-27)
The trypanosomatids, such as the protozoan Leishmania spp., have a demand by ergosterol, which is not present in the membrane from mammal cells. The suppression of the synthesis of ergosterol would be a new target of compounds with leishmanicidal activity
David A Bichara et al.
The Journal of arthroplasty, 33(8), 2666-2670 (2018-05-23)
Wear resistance of ultrahigh molecular weight polyethylene (UHMWPE) is improved via ionizing radiation crosslinking and subsequent high temperature melting for improved toughness. Our group has previously reported that crosslinking can also be achieved chemically using organic peroxides. However, volatile peroxide
Hyomin Jin et al.
Molecules (Basel, Switzerland), 24(1) (2019-01-10)
Herein, we investigated the effect of ring planarity by fully characterizing four pyridine-based o-carboranyl compounds. o-Carborane was introduced to the C4 position of the pyridine rings of 2-phenylpyridine and 2-(benzo[b]thiophen-2-yl)pyridine (CB1 and CB2, respectively), and the compounds were subsequently borylated
He Nan et al.
Journal of chromatography. A, 1523, 316-320 (2017-06-26)
Silver ion or argentation chromatography utilizes stationary phases containing silver ions for the separation of unsaturated compounds. In this study, a mixed-ligand silver-based ionic liquid (IL) was evaluated for the first time as a gas chromatographic (GC) stationary phase for
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