ETHYL 3-HYDROXYHEXANOATE
- Product Name
- ETHYL 3-HYDROXYHEXANOATE
- CAS No.
- 2305-25-1
- Chemical Name
- ETHYL 3-HYDROXYHEXANOATE
- Synonyms
- FEMA 3545;Fema no. 3545;Einecs 218-973-7;3-HYDROXYHEXANOATE;ETHYL 3 HYDROXY CAPROATE;ETHYL 3-HYDROXYHEXANOATE;Ethyl 3-hydroxybhexanoate;3-hydroxy-ethyl hexanoate;Ethyl beta-hydroxycaproate;2-ethyl-3-hydroxyhexanoate
- CBNumber
- CB1349584
- Molecular Formula
- C8H16O3
- Formula Weight
- 160.21
- MOL File
- 2305-25-1.mol
ETHYL 3-HYDROXYHEXANOATE Property
- Boiling point:
- 90-92 °C14 mm Hg(lit.)
- Density
- 0.974 g/mL at 25 °C(lit.)
- refractive index
- n20/D 1.428(lit.)
- FEMA
- 3545 | ETHYL 3-HYDROXYHEXANOATE
- Flash point:
- 202 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.45±0.20(Predicted)
- color
- Colorless to Almost colorless
- Odor
- at 100.00 %. fruity grape burnt wood hay spicy pineapple cranberry dusty woody
- Odor Type
- fruity
- biological source
- synthetic
- JECFA Number
- 601
- LogP
- 1.04
- CAS DataBase Reference
- 2305-25-1(CAS DataBase Reference)
- NIST Chemistry Reference
- Hexanoic acid, 3-hydroxy-, ethyl ester(2305-25-1)
- EPA Substance Registry System
- Ethyl 3-hydroxyhexanoate (2305-25-1)
Safety
- Safety Statements
- 24/25
- WGK Germany
- 3
- TSCA
- Yes
- HS Code
- 29181990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H227Combustible liquid
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- W354503
- Product name
- Ethyl 3-hydroxyhexanoate
- Purity
- ≥98%, FG
- Packaging
- 1 unit
- Price
- $53.48
- Updated
- 2025/07/31
- Product number
- W354503
- Product name
- Ethyl 3-hydroxyhexanoate
- Purity
- ≥98%, FG
- Packaging
- 1 unit
- Price
- $53.48
- Updated
- 2025/07/31
- Product number
- W354503
- Product name
- Ethyl 3-hydroxyhexanoate
- Purity
- ≥98%, FG
- Packaging
- 100g
- Price
- $133.95
- Updated
- 2025/07/31
- Product number
- W354503
- Product name
- Ethyl 3-hydroxyhexanoate
- Purity
- ≥98%, FG
- Packaging
- 1kg
- Price
- $484.5
- Updated
- 2025/07/31
- Product number
- W354503
- Product name
- Ethyl 3-hydroxyhexanoate
- Purity
- ≥98%, FG
- Packaging
- 5kg
- Price
- $2030
- Updated
- 2025/07/31
ETHYL 3-HYDROXYHEXANOATE Chemical Properties,Usage,Production
Chemical Properties
Ethyl 3-hydroxyhexanoate has a fruity odor.
Chemical Properties
Colorless clear liquid. Very slight Iy soluble in water, soluble in alcohol and oils. Powerful, fresh-fruity-oily, siightly green odor. Fresh-fruity, light and powerfu), penetrating taste.
Occurrence
Reported found in citrus, grape, orange, grapefruit and tangerine juice, orange peel oil, pineapple, strawberry, cognac, Scotch whiskey, red and white wine, passion fruit, mango, quince, wood apple, mountain papaya, pawpaw and hog plum (Spondias mombins L.).
Uses
Ethyl 3-Hydroxyhexanoate is a general volatile organic compound which contributes to the scent and flavor profile of various fruits such as guava fruit and bananas.
Preparation
By esterification of bera-Hydroxy caproic acid, which is an isomer of Leucic acid. The acid can be obtained from Butyraldchyde by condensation with Bromo acetic ester in presence of Zinc catalyst.
Definition
ChEBI: A fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid.
Taste threshold values
Taste characteristics at 80 ppm: sweet, fruity, grape with citrus notes.
Synthesis Reference(s)
The Journal of Organic Chemistry, 39, p. 269, 1974 DOI: 10.1021/jo00916a043
Synthesis
123-72-8
105-36-2
2305-25-1
GENERAL STEPS: THF (200 mL) was added to a 500 mL round-bottomed flask pre-dried in an oven equipped with a 30 cm long condenser and kept open to the atmosphere.THF was used directly without further drying or purification. Subsequently, it was heated to reflux temperature (66°C) on a sand bath and the solvent was rapidly stirred using a magnetic stir bar. The condenser was temporarily raised and 6.5 g (0.1 mol, 2 eq.) of ZnO particles were added to the hot solvent. Next, n-butyraldehyde (0.1 mol) and ethyl bromoacetate (0.2 mol, 2 eq.) were added to the reaction mixture. The condenser was immediately reconnected to the round-bottom flask, at which point rapid boiling was observed. After allowing the reaction to reflux rapidly for 1 min, the reaction vessel was removed from the heat source and cooled to room temperature. For all substrates, the reaction was monitored by TLC (eluent: hexane-EtOAc, 80:20) within 20 minutes to confirm completion. Excess THF was removed under vacuum, and the brown oil obtained was dissolved in hexane and the reaction quenched with H2O to form a yellow precipitate. After filtering the mixture, the hexane layer was washed sequentially with H2O (100 mL), 1M HCl (2 × 50 mL), H2O (100 mL) and brine (50 mL), and then dried with Na2SO4. Finally, hexane was removed under vacuum to afford the target product ethyl 3-hydroxyhexanoate in 86% to 95% yield (see Table 1).
References
[1] Synthetic Communications, 2001, vol. 31, # 24, p. 3781 - 3789
[2] Journal of Organic Chemistry, 1982, vol. 47, # 25, p. 5030 - 5032
[3] Journal of Organic Chemistry, 1982, vol. 47, # 25, p. 5030 - 5032
[4] Synthesis (Germany), 2015, vol. 47, # 1, p. 79 - 82
[5] Organic Letters, 2003, vol. 5, # 20, p. 3615 - 3617
ETHYL 3-HYDROXYHEXANOATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ETHYL 3-HYDROXYHEXANOATE manufacturers
- Product
- ETHYL 3-HYDROXYHEXANOATE 2305-25-1
- Price
- US $55.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20 tons
- Release date
- 2024-11-19
- Product
- ETHYL 3-HYDROXYHEXANOATE 2305-25-1
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-11-01
- Product
- ETHYL 3-HYDROXYHEXANOATE 2305-25-1
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-29