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3-Buten-1-ol

3-Buten-1-ol structure

CAS No:
627-27-0
Formula:
C4H8O
Chemical Name:
3-Buten-1-ol
Synonyms:
3-Buten-1-ol;1-Buten-4-ol;3-Butenyl alcohol;Allylcarbinol;1-Hydroxy-3-butene;Homoallyl alcohol;4-Hydroxy-1-butene;β-Vinylethanol;NSC 60194;But-3-en-1-ol;2382877-29-2
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

liquid

3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.

3-Buten-1-ol Basic Attributes

Molecular Weight：

72.11

Exact Mass：

72.11

BRN：

1633504

EC Number：

210-991-3

UNII：

3DB2KRM1I9

NSC Number：

60194

DSSTox ID：

DTXSID2060836

HScode：

29052990

Characteristics

PSA：

20.2

XLogP3：

0.6

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.848 g/cm³ @ Temp: 17 °C

Melting Point：

193ºC

Boiling Point：

113.5 °C

Flash Point：

90 °F

Refractive Index：

1.415

Water Solubility：

H2O: soluble

Storage Conditions：

Flammables area

Explosive limit：

2-28%(V)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36

Marks：

Stability/Shelf Life：

Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents. Flammable.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

RIDADR：

UN 1987

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 136 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Buten-1-ol Use and Manufacturing

Uses

3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.

Manufacturing Info：

3-Buten-1-ol: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	640.	100.	isothermal	Column length: 25. m; Column diameter: 0.33 mm	Haken, J.K.Korhonen, I.O.O.Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcoholsJ. Chromatogr.1985, 324, 343-353.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	641.	120.	isothermal	Column length: 25. m; Column diameter: 0.33 mm	Haken, J.K.Korhonen, I.O.O.Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcoholsJ. Chromatogr.1985, 324, 343-353.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	620.	140.	isothermal	Column length: 25. m; Column diameter: 0.33 mm	Haken, J.K.Korhonen, I.O.O.Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcoholsJ. Chromatogr.1985, 324, 343-353.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	663.	160.	isothermal	Column length: 25. m; Column diameter: 0.33 mm	Haken, J.K.Korhonen, I.O.O.Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcoholsJ. Chromatogr.1985, 324, 343-353.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	640.	80.	isothermal	Column length: 25. m; Column diameter: 0.33 mm	Haken, J.K.Korhonen, I.O.O.Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcoholsJ. Chromatogr.1985, 324, 343-353.

Computed Properties

Molecular Weight:72.11
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:72.057514874
Monoisotopic Mass:72.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Complexity:24.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

4426-50-0

18826-95-4

74976-39-9

74976-37-7

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