Ethyl 6-Hydroxyhexanoate
- CAS NO.：5299-60-5
- Empirical Formula: C8H16O3
- Molecular Weight: 160.21
- MDL number: MFCD00075601
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-16 16:12:10
What is Ethyl 6-Hydroxyhexanoate?
The Uses of Ethyl 6-Hydroxyhexanoate
Ethyl 6-Hydroxyhexanoate is used as a reagent in the synthesis of cross-reactive carbohydrate determinants (CCDs) as tools for in vitro allergy diagnosis. Ethyl 6-Hydroxyhexanoate is also used in the preparation of N-5-Carboxypentyl-1-deoxymannojirimycin (C181150); a ligand used for the preparation of an affinity resin specific for Man9 mannosidase.
The Uses of Ethyl 6-Hydroxyhexanoate
Ethyl 6-hydroxyhexanoate is suitable for use in the synthesis of series of model phenol carbonate ester prodrugs having fatty acid-like structures. It may be used in the preparation of alkyl triflates. It may be used in the synthesis of ethyl 6-(trifluoromethylsulfonyloxy)hexanoate.
Synthesis Reference(s)
The Journal of Organic Chemistry, 38, p. 2786, 1973 DOI: 10.1021/jo00956a011
Synthetic Communications, 11, p. 599, 1981 DOI: 10.1080/00397918108063631
General Description
Ethyl 6-hydroxyhexanoate is an ethyl ester. Its concentration in bordeaux red wines has been evaluated. Two-step preparation of ethyl 6-hydroxyhexanoate via hydrolysis of e-caprolactone has been reported.
Properties of Ethyl 6-Hydroxyhexanoate
| Boiling point: | 127-128 °C/12 mmHg (lit.) |
| Density | 0.985 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 15.15±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| InChI | InChI=1S/C8H16O3/c1-2-11-8(10)6-4-3-5-7-9/h9H,2-7H2,1H3 |
Safety information for Ethyl 6-Hydroxyhexanoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Ethyl 6-Hydroxyhexanoate
| InChIKey | HYXRUZUPCFVWAH-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CCCCCO |
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