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Merck

459798

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
UNSPSC Code:
12352200
NACRES:
NA.21
PubChem Substance ID:
24869598
EC Number:
203-470-7
Beilstein/REAXYS Number:
605307
MDL number:
MFCD00002920
Assay:
≥98.5%

Key Documents

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InChI key

XXROGKLTLUQVRX-UHFFFAOYSA-N

InChI

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

SMILES string

OCC=C

vapor density

2 (vs air)

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

Quality Level

200

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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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Poisonous substance

pdsc

Class I Designated Chemical Substances

prtr

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water soluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

459798-BULK: + 459798-375LB: + 459798-636KG: + 459798-750LB: + 459798-725KG: + 459798-170LB: + 459798-VAR:

jan

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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
James Y Hamilton et al.
Journal of the American Chemical Society, 135(3), 994-997 (2012-12-22)
The first example of Ir-catalyzed asymmetric substitution reaction with vinyl trifluoroborates is described. The direct reaction between branched, racemic allylic alcohols and potassium alkenyltrifluoroborates proceeded with high site selectivity and excellent enantioselectivity (up to 99%) mediated by an Ir-(P,olefin) complex.
Synthesis of highly substituted tetrahydrofurans by catalytic polar-radical-crossover cycloadditions of alkenes and alkenols.
Jean-Marc M Grandjean et al.
Angewandte Chemie (International ed. in English), 52(14), 3967-3971 (2013-02-27)
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