496839
3-Buten-1-ol
96%
Synonym(s):
Allylcarbinol
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About This Item
Linear Formula:
CH2=CHCH2CH2OH
CAS Number:
Molecular Weight:
72.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-991-3
Beilstein/REAXYS Number:
1633504
MDL number:
Assay:
96%
Quality Level
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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signalword
Warning
hcodes
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
Regulatory Information
危险化学品
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Jérôme Waser et al.
Journal of the American Chemical Society, 128(35), 11693-11712 (2006-08-31)
The discovery, study, and implementation of the Co- and Mn-catalyzed hydrohydrazination and hydroazidation reactions of olefins are reported. These reactions are equivalent to direct hydroaminations of C-C double bonds with protected hydrazines or hydrazoic acid but are based on a
Synlett, 2278-2278 (2006)
Transition metal promoted alkylations of unsaturated alcohols: the methylation and ethylation of 3-buten-1-ol using titanium tetrachloride-organoaluminum systems.
Youngblood AV, et al.
Journal of Organometallic Chemistry, 146(3), 221-228 (1978)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 496839-1KG | 04061837324208 |
| 496839-25G | 04061832417288 |
| 496839-100G | 04061832417271 |