Ethyl α-hydroxyisobutyrate structure
|
Common Name | Ethyl α-hydroxyisobutyrate | ||
|---|---|---|---|---|
| CAS Number | 80-55-7 | Molecular Weight | 132.158 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 152.1±8.0 °C at 760 mmHg | |
| Molecular Formula | C6H12O3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 44.4±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 2-Hydroxyisobutyrate |
|---|---|
| Synonym | More Synonyms |
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 | 152.1±8.0 °C at 760 mmHg |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.158 |
| Flash Point | 44.4±0.0 °C |
| Exact Mass | 132.078644 |
| PSA | 46.53000 |
| LogP | 0.16 |
| Vapour Pressure | 1.3±0.6 mmHg at 25°C |
| Index of Refraction | 1.428 |
| InChIKey | GFUIDHWFLMPAGY-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C)(C)O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R10;R36/38 |
| Safety Phrases | S26-S36-S16 |
| RIDADR | UN 3272 3/PG 3 |
| WGK Germany | 3 |
| RTECS | OD5672000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 29181980 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~83%
Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Watanabe, Kohtaro; Andou, Yoshito; Shirai, Yosihito; Nishida, Haruo Chemistry Letters, 2010 , vol. 39, # 7 p. 698 - 699 |
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~82%
Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Soengas, Raquel G.; Estevez, Amalia M. Synlett, 2010 , # 17 p. 2625 - 2627 |
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Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: US2029694 , ; US2101821 , ; |
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Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Journal of the American Chemical Society, , vol. 46, p. 412 |
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Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Journal of the American Chemical Society, , vol. 115, # 20 p. 8960 - 8968 |
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Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Zhurnal Obshchei Khimii, , vol. 25, p. 2289;engl.Ausg.S.2257 |
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Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Journal of the Chemical Society, , vol. 115, p. 1207 |
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Ethyl α-hydroxy... CAS#:80-55-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 188, p. 57 |
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Detail
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| Literature: Journal of the American Chemical Society, , vol. 46, p. 412 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester (9CI) |
| Ethyl α-hydroxyisobutyrate |
| Ethyl 2-hydroxy-2-methylpropanoate |
| EINECS 201-290-3 |
| Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester |
| MFCD00004458 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of Ethyl 2-Hydroxyisobutyrate? |
| A: Boiling point of Ethyl 2-Hydroxyisobutyrate is 152.1±8.0 °C at 760 mmHg. |
| Q: What are the downstream products of Ethyl 2-Hydroxyisobutyrate? |
| A: Related downstream products(CAS) of Ethyl 2-Hydroxyisobutyrate: 1068-81-1;55816-69-8;97-63-2;605680-62-4;18069-17-5;21127-99-1;18672-04-3;122-79-2;79-41-4;594-61-6. |
| Q: What are the upstream materials of Ethyl 2-Hydroxyisobutyrate? |
| A: Related upstream materials(CAS) of Ethyl 2-Hydroxyisobutyrate: 1243055-35-7;600-00-0;50-00-0;64-17-5;594-61-6;17288-15-2;24173-45-3;75-86-5;95-92-1;75-03-6. |
| Q: What is the InChIKey of Ethyl 2-Hydroxyisobutyrate? |
| A: InChIKey of Ethyl 2-Hydroxyisobutyrate is GFUIDHWFLMPAGY-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of Ethyl 2-Hydroxyisobutyrate? |
| A: SMILES notation of Ethyl 2-Hydroxyisobutyrate is CCOC(=O)C(C)(C)O. |
| Q: What is the molecular weight of Ethyl 2-Hydroxyisobutyrate? |
| A: Molecular weight of Ethyl 2-Hydroxyisobutyrate is 132.158. |
| Q: What is the molecular formula of Ethyl 2-Hydroxyisobutyrate? |
| A: Molecular formula of Ethyl 2-Hydroxyisobutyrate is C6H12O3. |
| Q: What is the English name of Ethyl 2-Hydroxyisobutyrate? |
| A: The English name of Ethyl 2-Hydroxyisobutyrate is Ethyl 2-Hydroxyisobutyrate. |
| Q: What is the safety information for Ethyl 2-Hydroxyisobutyrate? |
| A: Safety information for Ethyl 2-Hydroxyisobutyrate: S26-S36-S16. |
| Q: What is the CAS number of Ethyl 2-Hydroxyisobutyrate? |
| A: CAS number of Ethyl 2-Hydroxyisobutyrate is 80-55-7. |
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. |