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(+)-Methyl (S)-3-hydroxybutyrate - puriss., ≥99.0% (sum of enantiomers, GC), high purity , CAS No.53562-86-0
Basic Description
| Synonyms | (3S)-3-HYDROXYBUTANOIC ACID METHYL ESTER | (s)-methyl 3-hydroxybutyrate | (S)-3-HYDROXYBUTANOIC ACID METHYL ESTER | (+)-(3S)-3-Hydroxybutanoic acid methyl ester | UNII-G10281A5AH | AS-13349 | (S)-3-Hydroxy-n-butyric Acid methyl Ester | AS-47623 | Methyl ( |
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| Specifications & Purity | puriss., ≥99.0% (sum of enantiomers, GC) |
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| Grade | puriss. |
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Names and Identifiers
| IUPAC Name | methyl (3S)-3-hydroxybutanoate |
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| INCHI | InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1 |
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| InChi Key | LDLDJEAVRNAEBW-BYPYZUCNSA-N |
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| Canonical SMILES | CC(CC(=O)OC)O |
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| Isomeric SMILES | C[C@@H](CC(=O)OC)O |
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| WGK Germany | 3 |
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| PubChem CID | 6950307 |
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| Molecular Weight | 118.13 |
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| Beilstein | 1720853 |
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| Reaxy-Rn | 1720853 |
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Chemical and Physical Properties
| Refractive Index | 1.422 |
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| Specific Rotation[α] | +23.0° |
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| Flash Point(°F) | 163.4 °F |
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| Flash Point(°C) | 73°C(Lit.) |
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| Boil Point(°C) | 76°C/21mmHg |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS05, GHS07 |
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| Signal | Danger |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H318:Causes serious eye damage |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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| WGK Germany | 3 |
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| Reaxy-Rn | 1720853 |
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References
| 1. Xiao-Hong Chen,Ping Wei,Xiao-Ting Wang,Min-Hua Zong,Wen-Yong Lou. (2014-04-18) A novel carbonyl reductase with anti-Prelog stereospecificity from Acetobacter sp. CCTCC M209061: purification and characterization.. PloS one, 9 ((4)): (e94543-e94543). [PMID:24740089] |
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