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459798

Sigma-Aldrich

Allyl alcohol

≥98.5%

Synonym(s):

2-Propen-1-ol

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About This Item

Linear Formula:
CH2=CHCH2OH
CAS Number:
107-18-6
Molecular Weight:
58.08
Beilstein/REAXYS Number:
605307
EC Number:
203-470-7
MDL number:
MFCD00002920
UNSPSC Code:
12352200
PubChem Substance ID:
24869598
NACRES:
NA.21

vapor density

2 (vs air)

Quality Level

200

vapor pressure

23.8 mmHg ( 25 °C)

assay

≥98.5%

autoignition temp.

712 °F

expl. lim.

18 %

refractive index

n20/D 1.412 (lit.)

bp

96-98 °C (lit.)

mp

−129 °C (lit.)

density

0.854 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

OCC=C

InChI

1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChI key

XXROGKLTLUQVRX-UHFFFAOYSA-N

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Application

Used to induce a mouse model of liver damage that has been used to study the mechanisms of hepatotoxicity and hepatic stem cell-mediated repair.

Packaging

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signalword

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 3 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

71.6 °F - closed cup

flash_point_c

22 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ4907
SHBQ4900
SHBN6822
SHBN6821
SHBN5040

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Deoxydehydration of glycerol to allyl alcohol catalyzed by rhenium derivatives.
Canale V, et al.
Catalysis Science & Technology, 4(10), 3697-3704 (2014)
Hydrosilylation of allyl alcohol with [HSiMe2OSiO1.5]8: octa (3-hydroxypropyldimethylsiloxy) octasilsesquioxane and its octamethacrylate derivative as potential precursors to hybrid nanocomposites.
Zhang C and Laine RM.
Journal of the American Chemical Society, 122(29), 6979-6988 (2000)
Gregory M Mullen et al.
Journal of the American Chemical Society, 136(17), 6489-6498 (2014-04-08)
Partial oxidation of alcohols is a topic of great interest in the field of gold catalysis. In this work, we provide evidence that the partial oxidation of allyl alcohol to its corresponding aldehyde, acrolein, over oxygen-precovered gold surfaces occurs via
Copper-catalyzed tandem trifluoromethylation/semipinacol rearrangement of allylic alcohols.
Zhi-Min Chen et al.
Angewandte Chemie (International ed. in English), 52(37), 9781-9785 (2013-07-23)
Madeleine C Warner et al.
Organic letters, 14(19), 5094-5097 (2012-09-26)
A general and efficient route for the synthesis of enantiomerically pure α-substituted ketones and the corresponding lactones has been developed. Ruthenium- and enzyme-catalyzed dynamic kinetic resolution (DKR) with a subsequent Cu-catalyzed α-allylic substitution are the key steps of the route.
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