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ChemicalBook--->CAS DataBase List--->5299-60-5

5299-60-5

5299-60-5 Structure

5299-60-5 Structure
IdentificationBack Directory
[Name]

ETHYL 6-HYDROXYHEXANOATE
[CAS]

5299-60-5
[Synonyms]

RARECHEM AK ML 0053
Ethyl 6-hydroxycaproate
ETHYL 6-HYDROXYHEXANOATE
Ethyl 6-hydroxyhexanoate 97%
6-Hydroxycaproic acid ethyl ester
6-Hydroxyhexanoic acid ethyl ester
Hexanoic acid, 6-hydroxy-, ethyl ester
[Molecular Formula]

C8H16O3
[MDL Number]

MFCD00075601
[MOL File]

5299-60-5.mol
[Molecular Weight]

160.21
Chemical PropertiesBack Directory
[Boiling point ]

127-128 °C12 mm Hg(lit.)
[density ]

0.985 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.437(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

15.15±0.10(Predicted)
[color ]

Colorless to Almost colorless
[InChI]

InChI=1S/C8H16O3/c1-2-11-8(10)6-4-3-5-7-9/h9H,2-7H2,1H3
[InChIKey]

HYXRUZUPCFVWAH-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)CCCCCO
[LogP]

0.917 (est)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2918.19.9000
Hazard InformationBack Directory
[Uses]

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.
[Uses]

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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 6-HYDROXYHEXANOATE(5299-60-5)1HNMR
ETHYL 6-HYDROXYHEXANOATE(5299-60-5)Raman
ETHYL 6-HYDROXYHEXANOATE(5299-60-5)IR
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