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821-09-0

821-09-0 Structure

821-09-0 Structure
IdentificationMore
[Name]

4-Penten-1-ol
[CAS]

821-09-0
[Synonyms]

2-ALLYLETHYL ALCOHOL
4-PENTEN-1-OL
4-penten-1-0l
4-Pentene-1-ol
4-Pentenol
4-Pentenyl alcohol
CH2=CHCH2CH2CH2OH
pent-4-en-1-ol
Pentenol
4-Buten-1-ol
4-PENTEN-1-OL 98+%
2-allylethanol
[EINECS(EC#)]

212-473-2
[Molecular Formula]

C5H10O
[MDL Number]

MFCD00002975
[Molecular Weight]

86.13
[MOL File]

821-09-0.mol
Chemical PropertiesBack Directory
[Appearance]

Colourless Liquid
[Melting point ]

14.19°C (estimate)
[Boiling point ]

134-137 °C (lit.)
[density ]

0.834 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.429(lit.)
[Fp ]

110 °F
[storage temp. ]

2-8°C
[solubility ]

57g/l (experimental)
[form ]

Liquid
[pka]

15.13±0.10(Predicted)
[color ]

Clear colorless
[Specific Gravity]

0.83
[Water Solubility ]

Solubility in water: 57 g/L (25°C)
[Usage]

A reagent used in carbohydrate chemistry for n-Pentenyl Glycoside methodology for the rapid assembly of homoglycans exemplified with the nonasaccharide component of a high-mannose glycoprotein.
[BRN ]

1560163
[InChI]

1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
[InChIKey]

LQAVWYMTUMSFBE-UHFFFAOYSA-N
[SMILES]

OCCCC=C
[LogP]

0.776 (est)
[CAS DataBase Reference]

821-09-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Penten-1-ol(821-09-0)
Questions And AnswerBack Directory
[Synthesis]

First, iodine is used as the initiator to synthesize the Grignard reagent n-pentylmagnesium bromide using magnesium powder. This operation must be performed under strictly anhydrous conditions. Then, it is reacted with 3,4-dihydro-2H-pyran to synthesize 4-penten-1-ol, which is difficult to synthesize by other methods. The synthesis reaction is shown in the figure below:

Synthesis reaction diagram of 4-penten-1-ol

Figure 4-penten-1-ol synthesis reaction diagram

Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P240-P241-P280a-P303+P361+P353-P501a
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R37:Irritating to the respiratory system.
R20:Harmful by inhalation.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29052990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Penten-1-ol(821-09-0).msds
Hazard InformationBack Directory
[Chemical Properties]

4-Penten-1-ol is Colourless Liquid
[Uses]

4-Penten-1-ol is a reagent used in carbohydrate chemistry for n-Pentenyl Glycoside methodology for the rapid assembly of homoglycans exemplified with the nonasaccharide component of a high-mannose glycoprotein.
[General Description]

4-penten-1-ol forms ester bond at the C terminus of the linear peptide in solution with HATU as coupling agent.
[Safety Profile]

Dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Penten-1-ol(821-09-0)MS
4-Penten-1-ol(821-09-0)1HNMR
4-Penten-1-ol(821-09-0)13CNMR
4-Penten-1-ol(821-09-0)IR1
4-Penten-1-ol(821-09-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Penten-1-ol, 97%(821-09-0)
[Alfa Aesar]

4-Penten-1-ol, 98+%(821-09-0)
[Sigma Aldrich]

821-09-0(sigmaaldrich)
[TCI AMERICA]

4-Penten-1-ol,>98.0%(GC)(821-09-0)
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