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Merck
CN

226610

1-Phenyl-2-propyn-1-ol

98%

Synonym(s):

(±)-1-Phenyl-2-propyn-1-ol, (±)-α-Ethynylbenzyl alcohol, (±)-3-Hydroxy-3-phenyl-1-propyne, 1-Phenylpropargyl alcohol

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About This Item

Linear Formula:
CH≡CCH(OH)C6H5
CAS Number:
4187-87-5
Molecular Weight:
132.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24853579
EC Number:
224-064-6
Beilstein/REAXYS Number:
742365
MDL number:
MFCD00021860
Assay:
98%
Form:
liquid

Key Documents

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InChI key

UIGLAZDLBZDVBL-UHFFFAOYSA-N

InChI

1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H

SMILES string

OC(C#C)c1ccccc1

assay

98%

form

liquid

refractive index

n20/D 1.549 (lit.)

bp

135-136 °C/13 mmHg (lit.)

mp

22-23 °C (lit.)

density

1.087 g/mL at 25 °C (lit.)

functional group

hydroxyl, phenyl

Quality Level

100

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

210.2 °F - closed cup

flash_point_c

99 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX3793
MKCV8440
0000230452
0000230452
MKCN8994

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Saravanan Devendran et al.
BioMed research international, 2014, 482678-482678 (2014-04-08)
Kinetic resolution of 1-phenyl-2-propyn-1-ol, an important chiral synthon, was studied through trans-esterification with acyl acetate to investigate synergism between microwave irradiation and enzyme catalysis. Lipases from different microbial origins were employed for the kinetic resolution of (R/S)-1-phenyl-2-propyn-1-ol, among which Candida

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