3-Buten-2-ol
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3-Buten-2-ol
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CAS No:
598-32-3
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Formula:
C4H8O
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Chemical Name:
3-Buten-2-ol
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Synonyms:
3-Buten-2-ol;3-Hydroxy-1-butene;1-Buten-3-ol;1-Methyl-2-propen-1-ol;Methylvinylcarbinol;1-Methyl-2-propenol;1-Methylallyl alcohol;α-Methylallyl alcohol;2-Hydroxy-3-butene;(±)-3-Buten-2-ol;Racemic-3-buten-2-ol;NSC 17481;1-Methylprop-2-enyl alcohol;6118-14-5
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CAS No:
Characteristics
20.23000
0.52
clear colorless liquid
0.8318 g/cm3 @ Temp: 20 °C
59-59.5 °C
96-97 °C @ Press: 756 Torr
16.7±0.0 °C
1.412
Fully miscible with water.
Flammables area
Safety Information
II
3
UN 1987 3/PG 2
3
R11
S16-S26-S36
EM9275050
F:Highlyflammable;
P210-P261-P305 + P351 + P338
H225-H315-H319-H332-H335
UN 1987
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Buten-2-ol Use and Manufacturing
3-Buten-2-ol: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon L | 542. | 120. | isothermal | Celite 545 | Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192. |
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon L | 543. | 160. | isothermal | Celite 545 | Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192. |
Computed Properties
Molecular Weight:72.11
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:72.057514874
Monoisotopic Mass:72.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Complexity:32.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
