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ChemicalBook--->CAS DataBase List--->5405-41-4

5405-41-4

5405-41-4 Structure

5405-41-4 Structure
IdentificationMore
[Name]

Ethyl 3-hydroxybutyrate
[CAS]

5405-41-4
[Synonyms]

3-HYDROXYBUTYRIC ACID ETHYL ESTER
3-HYDROXYBUTYRIC ETHYL ETHER
BETA-HYDROXY-N-BUTYRIC ACID ETHYL ESTER
DL-3-HYDROXYBUTYRIC ACID ETHYL ESTER
DL-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTER
DL-ETHYL-3-HYDROXYBUTYRATE
ETHOXIFF
ETHYL 3-HYDROXYBUTYRATE
ETHYL DL-3-HYDROXYBUTYRATE
ETHYL DL-3-HYDROXY-N-BUTYRATE
FEMA 3428
3-hydroxy-butanoicaciethylester
Butanoicacid,3-hydroxy-,ethylester
Butyric acid, 3-hydroxy-, ethyl ester
CH3CH(OH)CH2C(O)OC2H5
dl-beta-Hydroxy-n-butyric acid ethyl ester
Ethyl 3-hydroxybutanoate
Ethyl beta-hydroxybutyrate
3-Hydroxyburyric acid ethylester
ETHYL 3-HYDROXYBUTYRATE 97+%
[EINECS(EC#)]

226-456-2
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00004545
[Molecular Weight]

132.16
[MOL File]

5405-41-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

170 °C (lit.)
[density ]

1.017 g/mL at 25 °C(lit.)
[FEMA ]

3428
[refractive index ]

n20/D 1.42(lit.)
[Fp ]

148 °F
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

14.45±0.20(Predicted)
[color ]

Clear colorless
[Odor]

at 100.00 %. fruity green grape tropical apple skin
[Odor Type]

fruity
[JECFA Number]

594
[BRN ]

1446190
[InChIKey]

OMSUIQOIVADKIM-UHFFFAOYSA-N
[LogP]

-0.02
[CAS DataBase Reference]

5405-41-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3-hydroxy-, ethyl ester(5405-41-4)
[EPA Substance Registry System]

5405-41-4(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2394
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29181980
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetoacetate-->1-Butanol
[Preparation Products]

butyl 3-hydroxybutyrate-->Ethyl (S)-3-hydroxybutyrate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 3-hydroxybutyrate(5405-41-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Ethyl-3-hydroxybutyrate is a clear colorless viscous liquid and has a fresh, fruity, grape odor. It is one of the main aroma components of wine. It occurs naturally in fruits such as pineapple, tamarillo fruit, caja fruit and naranjilla fruit.
[Occurrence]

Reported found in passion fruit, rum, sherry, wine, orange juice, guava, pineapple, tea, mango, wood apple, mountain papaya, naranjilla fruit, quince and hog plum (Spondias mombins L.)
[Uses]

Ethyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum. It is a reagent used to synthesize α-azido carboxylic acids. It is also used in Palladium mediated spiroketal synthesis.
[Definition]

ChEBI: Ethyl 3-hydroxybutyrate is the fatty acid ethyl ester of 3-hydroxybutyric acid. It has a role as a metabolite. It derives from a 3-hydroxybutyric acid.
[Preparation]

Ethyl 3-hydroxybutyrate is synthesized by catalytic hydrogenation of ethyl acetoacetate.
[Taste threshold values]

Taste characteristics at 30 ppm: green, fruity and winy.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 35, p. 3966, 1970 DOI: 10.1021/jo00836a087
Tetrahedron Letters, 31, p. 1615, 1990 DOI: 10.1016/0040-4039(90)80031-G
[General Description]

Ethyl 3-hydroxybutyrate is a clear colorless liquid. (NTP, 1992)
[Air & Water Reactions]

Water soluble.
[Reactivity Profile]

Ethyl 3-hydroxybutyrate(5405-41-4) is incompatible with strong oxidizing agents and strong bases.
[Fire Hazard]

Ethyl 3-hydroxybutyrate is combustible.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-hydroxybutyrate(5405-41-4)1HNMR
Ethyl 3-hydroxybutyrate(5405-41-4)IR
Ethyl 3-hydroxybutyrate(5405-41-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 3-hydroxybutyrate, 99%(5405-41-4)
[Alfa Aesar]

Ethyl 3-hydroxybutyrate, 98+%(5405-41-4)
[Sigma Aldrich]

5405-41-4(sigmaaldrich)
[TCI AMERICA]

Ethyl DL-3-Hydroxybutyrate,>98.0%(GC)(5405-41-4)
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