CAS Number5405-41-4
SynonymsEthyl 3-hydroxybutanoate; Ethyl 3-hydroxybutyrate; DL-3-Hydroxybutyric Acid Ethyl Ester; Butanoic acid, 3-hydroxy-, ethyl ester; MFCD00004545; Ethyl DL-3-Hydroxybutyrate; Butyric acid, 3-hydroxy-, ethyl ester; EINECS 226-456-2
Molecular FormulaCH3CH(OH)CH2COOC2H5
Molecular Weight132.16
Purity≥97%
Density1.0±0.1 g/cm3
Boiling Point170 °C (lit.)
AppearanceTransparent colorless liquid
EINECS226-456-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5405-41-4 |
| Catalog No. | 2A-9031765 |
| Chinese Name | 3-羟基丁酸乙酯 |
| Synonyms | Ethyl 3-hydroxybutanoate; Ethyl 3-hydroxybutyrate; DL-3-Hydroxybutyric Acid Ethyl Ester; Butanoic acid, 3-hydroxy-, ethyl ester; MFCD00004545; Ethyl DL-3-Hydroxybutyrate; Butyric acid, 3-hydroxy-, ethyl ester; EINECS 226-456-2 |
| Molecular Formula | CH3CH(OH)CH2COOC2H5 |
| Molecular Weight | 132.16 |
| Purity | ≥97 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 170 °C (lit.) |
| Appearance | Transparent colorless liquid |
| Storage Condition | Avoid light, keep in a cool and dry place, sealed |
| Application | Ethyl 3-hydroxybutyrate is a flavor compound found in wine and rattleweed. |
| EINECS | 226-456-2 |
| HTC | 2915600000 |
| PubChem ID | 24901699 |
| MDL Number | MFCD00004545 |
| SMILES | CCOC(=O)CC(C)O |
| InChI | 1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1446190 |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | transportation |
| MSDS | msds/31765_1_5405_41_4.pdf |
| Bioactivity | Ethyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Ortega C, et al. Fast analysis of important wine volatile compounds development and validation of a new method based on gas chromatographic-flame ionisation detection analysis of dichloromethane microextracts. J Chromatogr A. 2001 Jul 20;923(1-2):205-14. [2]. Jonfia-Essien WA, et al. Behavioural responses of Tribolium castaneum (Herbst) to volatiles identified from dry cocoa beans. Pak J Biol Sci. 2007 Oct 15;10(20):3549-56. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 175.0±0.0 °C at 760 mmHg Molecular Formula C6H12O3 Molecular Weight 132.158 Flash Point 64.4±0.0 °C Exact Mass 132.078644 PSA 46.53000 LogP -0.02 Vapour Pressure 0.4±0.7 mmHg at 25°C Index of Refraction 1.427 InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N SMILES CCOC(=O)CC(C)O |
| Use of | Ethyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum[1][2]. Properties Name ethyl 3-hydroxybutyrate Synonym More Synonyms Ethyl 3-hydroxybutyrate Biological Activity Description Ethyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Ortega C, et al. Fast analysis of important wine volatile compounds development and validation of a new method based on gas chromatographic-flame ionisation detection analysis of dichloromethane microextracts. J Chromatogr A. 2001 Jul 20;923(1-2):205-14. [2]. Jonfia-Essien WA, et al. Behavioural responses of Tribolium castaneum (Herbst) to volatiles identified from dry cocoa beans. Pak J Biol Sci. 2007 Oct 15;10(20):3549-56. Chemical & Physical Properties Molecular Formula C6H12O3 Exact Mass 132.078644 PSA 46.53000 LogP -0.02 Index of Refraction 1.427 InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N SMILES CCOC(=O)CC(C)O |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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