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129763

Sigma-Aldrich

2-Methyl-3-butyn-2-ol

98%

Synonym(s):

Dimethyl ethynyl carbinol

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1 L
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About This Item

Linear Formula:
HC≡CC(CH3)2OH
CAS Number:
Molecular Weight:
84.12
Beilstein/REAXYS Number:
635746
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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$39.90

List Price$42.00Save 5%
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In StockDetails


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vapor pressure

15 mmHg ( 20 °C)

Quality Level

assay

98%

form

liquid

autoignition temp.

662 °F

expl. lim.

16.6 %

refractive index

n20/D 1.42 (lit.)

bp

104 °C (lit.)

mp

2.6 °C (lit.)

density

0.868 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CC(C)(O)C#C

InChI

1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3

InChI key

CEBKHWWANWSNTI-UHFFFAOYSA-N

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110949B86400P8025
3-Pentanol 98%

P8025

3-Pentanol

assay

98%

assay

98%

assay

97%

assay

98%

Quality Level

200

Quality Level

100

Quality Level

100

Quality Level

200

bp

104 °C (lit.)

bp

112 °C (lit.)

bp

96-97 °C (lit.)

bp

114-115 °C/749 mmHg (lit.)

refractive index

n20/D 1.42 (lit.)

refractive index

n20/D 1.409 (lit.)

refractive index

n20/D 1.415 (lit.)

refractive index

n20/D 1.410 (lit.)

density

0.868 g/mL at 25 °C (lit.)

density

0.818 g/mL at 25 °C (lit.)

density

0.832 g/mL at 25 °C (lit.)

density

0.815 g/mL at 25 °C (lit.)

form

liquid

form

-

form

liquid

form

-

General description

2-Methyl-3-butyn-2-ol (MBY) is used as a precursor in the Mannich reaction and can undergo selective semihydrogenation to produce fine chemicals.[1][2]

Application

2-Methyl-3-butyn-2-ol can be used as a reactant to synthesize:,·
  • Aryl-2-methyl-3-butyn-2-ols via Pd-catalyzed Sonogashira coupling reaction with various aryl bromides.[3]      
  • 2-Methyl-3-buten-2-ol (MBE) by Pd/γ-Al2O3 catalyzed selective hydrogenation reaction. MBE is applicable as an important intermediate in the synthesis of vitamin A.[4]      
  • Diarylacetylenes via Pd-catalyzed Sonogashira coupling reaction with aryl chlorides in the presence of Cs2CO3 as a base.[5] 
  • Optically active propargylic alcohols by enantioselective addition reaction with various aldehydes in the presence of Zn(OTf)2 and N-methylephedrine.[6]

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Repr. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

66.2 °F - closed cup

flash_point_c

19 °C - closed cup

ppe

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


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Questions

1–2 of 2 Questions  
  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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