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493023

3-Methyl-1-penten-4-yn-3-ol

Name: 3-Methyl-1-penten-4-yn-3-ol
Brand: ALDRICH

98%

Synonym(s):

Ethynyl methyl vinyl carbinol

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About This Item

Linear Formula:

HC≡CC(CH₃)(OH)CH=CH₂

CAS Number:

3230-69-1

Molecular Weight:

96.13

NACRES:

NA.22

PubChem Substance ID:

24872796

UNSPSC Code:

12352100

EC Number:

221-770-6

MDL number:

MFCD01709006

Assay:

98%

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Properties

Quality Level

100

assay

98%

refractive index

n20/D 1.446 (lit.)

bp

63-65 °C/100 mmHg (lit.)

density

0.89 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CC(O)(C=C)C#C

InChI

1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3

InChI key

VBATUBQIYXCZPA-UHFFFAOYSA-N

Description

General description

3-Methyl-1-penten-4-yn-3-ol is an acetylenic alcohol. It reacts with ruthenium vinyl carbene to form a ten-membered η²-olefin coordinated ruthenacycle. The efficiency of different palladium catalysts for the hydrogenation of 3-methyl-1-penten-4-yn-3-ol under continuous-flow liquid-phase conditions has been evaluated. It undergoes allylic rearrangement to form cis and trans isomers of 3-methyl-2-penten-4-yn-l-ol.

pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H302

pcodes

P210 - P233 - P240 - P241 - P242 - P301 + P312

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

90.0 °F - closed cup

flash_point_c

32.2 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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From the Lindlar Catalyst to Supported Ligand-Modified Palladium Nanoparticles: Selectivity Patterns and Accessibility Constraints in the Continuous-Flow Three-Phase Hydrogenation of Acetylenic Compounds.

Vile G, et al.

Chemistry (Weinheim An Der Bergstrasse, Germany), 20(20), 5926-5937 (2014)

Allyl rearrangement of 3-methyl-1-penten-4-yn-3-ol.

Skoda A, et al.

Chemical Papers, 43(6), 743-751 (1989)

1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols.

Zhou X, et al.

Organic Chemistry Frontiers : An International Journal of Organic Chemistry / Royal Society of Chemistry, 1(9), 1077-1082 (2014)

Global Trade Item Number

SKU	GTIN
493023-25G	04061833490402
493023-5G	04061837581717