Ethyl 3-hydroxybutyrate
Ethyl 3-hydroxybutyrate structure
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Common Name | Ethyl 3-hydroxybutyrate | ||
|---|---|---|---|---|
| CAS Number | 5405-41-4 | Molecular Weight | 132.158 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 175.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H12O3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 64.4±0.0 °C | |
Use of Ethyl 3-hydroxybutyrateEthyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum[1][2]. |
Summary: Ethyl 3-hydroxybutyrate (Chinese name: 3-羟基丁酸乙酯, CAS number: 5405-41-4, molecular formula: C6H12O3, molecular weight: 132.158) is a colorless, transparent liquid with a boiling point of 175.0±0.0 °C and a density of 1.0±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 3-hydroxybutyrate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Ethyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum[1][2]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
|---|---|
| Hazard Codes | Xn |
| Safety Phrases | S24/25 |
| RIDADR | UN 2394 |
| WGK Germany | 3 |
| HS Code | 2915600000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:141-97-9
CAS#:75-07-0
CAS#:141-78-6
CAS#:19780-35-9
CAS#:64-17-5
CAS#:105-45-3
CAS#:71-36-3
CAS#:591-60-6
CAS#:1438390-64-7
CAS#:24534-93-8
CAS#:27846-49-7
CAS#:300-85-6
CAS#:56816-01-4
CAS#:625-72-9
CAS#:24915-95-5
CAS#:626-51-7
CAS#:5832-70-2
CAS#:7425-49-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918199090 |
|---|---|
| Summary | 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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How do esters and dimethyl sulphide concentrations affect fruity aroma perception of red wine? Demonstration by dynamic sensory profile evaluation.
Food Chem. 194 , 196-200, (2015) Our study focused on variations in wine aroma perception and molecular composition during tasting over a period of 30min. In parallel, dynamic analytical and sensory methods were applied to study chan... |
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A novel carbonyl reductase with anti-Prelog stereospecificity from Acetobacter sp. CCTCC M209061: purification and characterization.
PLoS ONE 9(4) , e94543, (2014) A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 3-hydroxybutanoate |
| Ethyl 3-hydroxybutyrate |
| DL-3-Hydroxybutyric Acid Ethyl Ester |
| Butanoic acid, 3-hydroxy-, ethyl ester |
| MFCD00004545 |
| Ethyl DL-3-Hydroxybutyrate |
| UNII:52008C87PV |
| Butyric acid, 3-hydroxy-, ethyl ester |
| EINECS 226-456-2 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of ethyl 3-hydroxybutyrate? |
| A: Polar surface area (PSA) of ethyl 3-hydroxybutyrate is 46.53000. |
| Q: What is the boiling point of ethyl 3-hydroxybutyrate? |
| A: Boiling point of ethyl 3-hydroxybutyrate is 175.0±0.0 °C at 760 mmHg. |
| Q: What is the safety information for ethyl 3-hydroxybutyrate? |
| A: Safety information for ethyl 3-hydroxybutyrate: S24/25. |
| Q: What are the downstream products of ethyl 3-hydroxybutyrate? |
| A: Related downstream products(CAS) of ethyl 3-hydroxybutyrate: 141-97-9;24534-93-8;27846-49-7;300-85-6;56816-01-4;625-72-9;24915-95-5;626-51-7;5832-70-2;7425-49-2. |
| Q: What is the molecular formula of ethyl 3-hydroxybutyrate? |
| A: Molecular formula of ethyl 3-hydroxybutyrate is C6H12O3. |
| Q: What is the molecular weight of ethyl 3-hydroxybutyrate? |
| A: Molecular weight of ethyl 3-hydroxybutyrate is 132.158. |
| Q: What is the SMILES notation of ethyl 3-hydroxybutyrate? |
| A: SMILES notation of ethyl 3-hydroxybutyrate is CCOC(=O)CC(C)O. |
| Q: What English synonyms does ethyl 3-hydroxybutyrate have? |
| A: English synonyms of ethyl 3-hydroxybutyrate: Ethyl 3-hydroxybutanoate, Ethyl 3-hydroxybutyrate, DL-3-Hydroxybutyric Acid Ethyl Ester, Butanoic acid, 3-hydroxy-, ethyl ester, MFCD00004545, Ethyl DL-3-Hydroxybutyrate, UNII:52008C87PV, Butyric acid, 3-hydroxy-, ethyl ester, EINECS 226-456-2. |
| Q: What are the upstream materials of ethyl 3-hydroxybutyrate? |
| A: Related upstream materials(CAS) of ethyl 3-hydroxybutyrate: 141-97-9;75-07-0;141-78-6;19780-35-9;64-17-5;105-45-3;71-36-3;591-60-6;1438390-64-7. |
| Q: What is the CAS number of ethyl 3-hydroxybutyrate? |
| A: CAS number of ethyl 3-hydroxybutyrate is 5405-41-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: Ethyl 3-hydroxybutyrate
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
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- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: Ethyl 3-hydroxybutyrate
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: Ethyl 3-hydroxybutyrate 5405-41-4
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: Ethyl 3-hydroxybutyrate
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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