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496839

3-Buten-1-ol

96%

Synonym(s):

Allylcarbinol

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About This Item

Linear Formula:
CH2=CHCH2CH2OH
CAS Number:
627-27-0
Molecular Weight:
72.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24873086
EC Number:
210-991-3
Beilstein/REAXYS Number:
1633504
MDL number:
MFCD00002959
Assay:
96%
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Quality Segment

100

assay

96%

refractive index

n20/D 1.421 (lit.)

bp

112-114 °C (lit.)

density

0.838 g/mL at 25 °C (lit.)

functional group

allyl, hydroxyl

SMILES string

OCCC=C

InChI

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

InChI key

ZSPTYLOMNJNZNG-UHFFFAOYSA-N

General description

3-Buten-1-ol is a homoallyl alcohol that can be prepared by the dehydration of 1,4-butanediol using cerium catalyst. The intramolecular hydrogen bonding of 3-buten-1-ol has been studied using FT-IR and 1H NMR spectroscopic data. Its microwave spectrum has been recorded and analyzed. The alkylation reaction of 3-buten-1-ol using titanium-organoaluminum system has been studied. Its gas-phase enthalpy of formation has been reported to be -147.3 ± 1.8kJ mol-1.

Application

Employed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers cataylzed by ferric chloride.

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

91.4 °F - closed cup

flash_point_c

33 °C - closed cup

ppe

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

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