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C86006

Crotyl alcohol, mixture of cis and trans

Name: Crotyl alcohol, mixture of <I>cis</I> and <I>trans</I>
Brand: ALDRICH

96%

Synonym(s):

2-Buten-1-ol

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About This Item

Linear Formula:

CH₃CH=CHCH₂OH

CAS Number:

6117-91-5

Molecular Weight:

72.11

NACRES:

NA.22

UNSPSC Code:

12352100

PubChem Substance ID:

24893079

EC Number:

228-086-7

Beilstein/REAXYS Number:

1361395

MDL number:

MFCD00002923

Assay:

96%

Form:

liquid

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Properties

Quality Level

200

assay

96%

form

liquid

refractive index

n20/D 1.427 (lit.)

bp

121-122 °C (lit.)

density

0.845 g/mL at 25 °C (lit.)

SMILES string

C\C=C\CO

InChI

1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+

InChI key

WCASXYBKJHWFMY-NSCUHMNNSA-N

Description

Application

Crotyl alcohol can be used as a starting material in the synthesis of antitumor agents such as 14-azacamptothecin and 10, 11-methylenedioxy-14-azacamptothecin. It can also be used as a precursor in the total synthesis of discodermolide.

pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H302 + H312

pcodes

P210 - P233 - P240 - P280 - P301 + P312 - P303 + P361 + P353

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

93.2 °F - closed cup

flash_point_c

34 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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Synthesis of 14-azacamptothecin, a water-soluble topoisomerase I poison.

Rahier N J, et al.

Organic Letters, 7(5), 835-837 (2005)

Synthesis of optically active β-alkyl aspartate via [3, 3] sigmatropic rearrangement of α-acyloxytrialkylsilane.

Sakaguchi K, et al.

Tetrahedron Letters, 45(30), 5869-5872 (2004)

High-activity, single-site mesoporous Pd/Al2O3 catalysts for selective aerobic oxidation of allylic alcohols.

Simon F J Hackett et al.

Angewandte Chemie (International ed. in English), 46(45), 8593-8596 (2007-10-06)

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Global Trade Item Number

SKU	GTIN
C86006-100ML	04061837329258
C86006-25ML	04061837329265