4798-44-1

Basic information

• Product Name: 1-Hexen-3-ol
• Synonyms: - hexen-3-ol;3-Hydroxy-1-hexene;Propylvinylcarbinol;FEMA 3608;1-HEXENE-3-OL;1-HEXEN-3-OL;N-PROPYL VINYL CARBINOL;1-HEXEN-3-OL 98+%
• CAS NO: 4798-44-1
• Molecular Formula: C₆H₁₂O
• Molecular Weight: 100.16
• EINECS: 225-355-0
• Product Categories: Acyclic;Alkenes;Organic Building Blocks;Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 4798-44-1.mol
• Article Data: 40

Chemical Properties

• Melting Point: 22.55°C (estimate)
• Boiling Point: 134-135 °C(lit.)
• Flash Point: 95 °F
• Appearance: clear colorless to very slightly yellow liquid
• Density: 0.834 g/mL at 25 °C(lit.)
• Vapor Pressure: 3.6mmHg at 25°C
• Refractive Index: n20/D 1.428(lit.)
• PKA: 14.49±0.20(Predicted)
• Water Solubility: INSOLUBLE
• BRN: 1720166
• CAS DataBase Reference: 1-Hexen-3-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Hexen-3-ol(4798-44-1)
• EPA Substance Registry System: 1-Hexen-3-ol(4798-44-1)

Safety Data

• Statements: 10
• Safety Statements: 16-29-33
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 4798-44-1(Hazardous Substances Data)

Usage

Description

1-hexen-3-ol belongs to the family of allylic alcohols which contain an alcohol group attached to the allyl functional group. It is naturally found in banana, French fried potato, mustard, black tea, salted and pickled plums, dill herb, cherimoya, and scallop. It has an ethereal, run like odor. It is used as a flavor agent in foods (e.g. condiments, gravies, meat products, seasoning flavors, snack foods, and soups).

References

[1] George A. Burdock (2016) Fenaroli’s Handbook of Flavoring Ingredients, Sixth Edition [2] George A. Burdock (1997) Encyclopedia of Food and Color Additives, Volume 1

Chemical Properties

Different sources of media describe the Chemical Properties of 4798-44-1 differently. You can refer to the following data:
1. CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID
2. 1-Hexen-3-ol has a meat-like odor

InChI:InChI=1/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3/t6-/m1/s1

Upstream product

• 927-77-5 n-propylmagnesium bromide 
• 107-02-8 acrolein 
• 592-41-6 1-hexene 
• 106-94-5 propyl bromide 
• 7688-21-3 cis-2-hexene 
• 4050-45-7 trans-2-hexene 
• 168430-49-7 2-(1-chlorobutyl)oxirane 
• 624-91-9 methyl nitrite 
• 90325-47-6 1,2,3-hexanetriol 
• 105-31-7 1-hexyn-3-ol 
• 123-72-8 butyraldehyde 
• 928-95-0 (E)-2-Hexen-1-ol 
• 190662-66-9 1-methylseleno-2-hexene 
• 90036-65-0 trans-Hex-2-enyl phenyl selenide 

Downstream Products

• 90325-47-6 1,2,3-hexanetriol 
• 2305-21-7 2-hexen-1-ol 
• 34686-76-5 1-bromo-2-hexene 
• 54684-73-0 3-bromo-1-hexene 
• 589-38-8 n-hexan-3-one 
• 1629-60-3 1-hexene-3-one 
• 87503-46-6 2-hydroxylpentanal 
• 592-48-3 hexa-1,3-diene 
• 592-46-1 hexa-2,4-diene 
• 105-21-5 4-propylbutanolide 
• 98830-70-7 (E)-2-hexenyl phenyl sulfone 
• 592-41-6 1-hexene 
• 4050-45-7 trans-2-hexene 
• 110-54-3 hexane 

Relevant articles and documents

Chromium-Catalyzed Production of Diols From Olefins

Processes for converting an olefin reactant into a diol compound are disclosed, and these processes include the steps of contacting the olefin reactant and a supported chromium catalyst comprising chromium in a hexavalent oxidation state to reduce at least a portion of the supported chromium catalyst to form a reduced chromium catalyst, and hydrolyzing the reduced chromium catalyst to form a reaction product comprising the diol compound. While being contacted, the olefin reactant and the supported chromium catalyst can be irradiated with a light beam at a wavelength in the UV-visible spectrum. Optionally, these processes can further comprise a step of calcining at least a portion of the reduced chromium catalyst to regenerate the supported chromium catalyst.

Ruthenium(II)-Catalyzed Regio- and Stereoselective C-H Allylation of Indoles with Allyl Alcohols

A ruthenium-catalyzed C-H allylation of indoles with allyl alcohols via β-hydroxide elimination is reported. Without external oxidants and expensive additives, this reaction features mild reaction conditions, compatibility with various functional groups, and good to excellent regioselectivity and stereoselectivity.

A Re2O7catalyzed cycloetherification of monoallylic diols

A Re2O7catalyzed cycloetherification of monoallylic diols is described. The reaction features short reaction time, mild reaction conditions and exclusive E selectivity. A wide range of monoallylic alcohols with alkyl or aryl substituents on olefin smoothly undergo ring closure to deliver corresponding oxa-heterocycles. The reaction is also operationally simple and not sensitive to air and moisture.