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Merck
CN

161241

1-Phenyl-1-propyne

99%

Synonym(s):

(2-Methylethynyl)benzene, 1-Methyl-2-phenylacetylene, 1-Propyn-1-ylbenzene, 1-Propynylbenzene, 3-Phenyl-2-propyne, Methylphenylacetylene, Methylphenylethyne, Phenylmethylacetylene

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About This Item

Linear Formula:
C6H5C≡CCH3
CAS Number:
673-32-5
Molecular Weight:
116.16
NACRES:
NA.22
PubChem Substance ID:
24849915
UNSPSC Code:
12352100
EC Number:
211-607-7
MDL number:
MFCD00009272

Key Documents

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Product Name

1-Phenyl-1-propyne, 99%

InChI key

GHUURDQYRGVEHX-UHFFFAOYSA-N

InChI

1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3

SMILES string

CC#Cc1ccccc1

assay

99%

form

liquid

refractive index

n20/D 1.564 (lit.)

bp

185 °C (lit.)

density

0.928 g/mL at 25 °C (lit.)

functional group

phenyl

storage temp.

2-8°C

Quality Level

100

Related Categories

General description

Co-catalyzed reaction between cyclopentene and 1-phenyl-1-propyne has been reported. Bonding properties of 1-phenyl-1-propyne on Cu(111) at 100K have been studied using temperature-programmed desorption and X-ray, ultraviolet and two-photon photoemission spectroscopies. 1-Phenyl-1-propyne is an inhibitor of dopamine beta-hydroxylase. Polymerization of 1-phenyl-1-propyne by TaCl5 and NbCl5 has been reported.

1-Phenyl-1-propyne serves as a starting material for various chemical reactions, such as addition reactions and polymerization.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

143.6 °F - closed cup

flash_point_c

62 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000329490
0000329490
SHBP5718
SHBL0550
SHBJ6624

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Effect of organometallic cocatalysts on the polymerization of 1-phenyl-1-propyne by tantalum pentachloride (TaCl5) and niobium pentachloride (NbCl5).
Masuda T, et al.
Macromolecules, 18(11), 2109-2113 (1985)
Youngku Sohn et al.
Langmuir : the ACS journal of surfaces and colloids, 23(24), 12185-12191 (2007-10-31)
The bonding properties of 1-phenyl-1-propyne (PP, C6H5CCCH3) on Cu(111) at 100 K have been studied using temperature-programmed desorption (TPD), and X-ray, ultraviolet, and two-photon photoemission spectroscopies (XPS, UPS, and 2PPE). In TPD, there is no evidence for dissociation. Multilayer desorption
Shuhuai Xiang et al.
Journal of the American Chemical Society, 136(16), 5832-5835 (2014-04-12)
Here we report a general method for the measurement of (13)C kinetic isotope effects at natural abundance for reactions that yield two or more products concurrently. We use, as an example, a recently reported Co-catalyzed reaction between cyclopentene and 1-phenyl-1-propyne.
(Arylimido)niobium(V)?Alkylidenes, Nb(CHSiMe3)(NAr)[OC(CF3)3](PMe3)2, That Enable to Proceed Living Metathesis Polymerization of Internal Alkynes
Izawa T and Nomura K
Macromolecules, 53(13), 5266-5279 (2020)
G Colombo et al.
The Journal of biological chemistry, 259(24), 15017-15020 (1984-12-25)
The catalytic action of dopamine beta-hydroxylase on 1-phenyl-1-propyne results in concomitant loss of enzyme activity. At pH 5.5 and 25 degrees C, 1-phenyl-1-propyne inactivates dopamine beta-hydroxylase in a mechanism-based fashion. The inactivation rate is first-order, follows saturation kinetics, and is
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