Grundinformationen
- Standard-SMILES
COC(=O)CC(C)(C)O- InChIKey
JNURPEZKOSMRMZ-UHFFFAOYSA-N- Summenformel
- C6H12O3
- Durchschnittliche Molmasse
- 132,16 g/mol
- Monoisotopische Masse
- 132,07864424
Überblick
Methyl 3-hydroxy-3-methylbutanoate has been reported in Juglans nigra with data available.
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-hydroxy-3-methylbutanoate
- IUPAC
- methyl 3-hydroxy-3-methylbutanoate
- Englischer Name
- 3-Hydroxy-3-methylbutanoic acid methyl ester
- Summenformel
- C6H12O3
- Molmasse
- 132.16
Namen und Synonyme
Methyl 3-hydroxy-3-methylbutanoate6149-45-7Butanoic acid, 3-hydroxy-3-methyl-, methyl esterButyric acid, 3-hydroxy-3-methyl-, methyl esterDTXSID10334808Methyl 3-methyl 3-hydroxybutanoate(CH3)2C(OH)CH2C(O)OCH3.beta.-Hydroxyisovaleric acid, methyl esterRefChem:157481DTXCID20285897beta-Hydroxyisovaleric acid, methyl ester837-668-5
Weitere Namen anzeigen
methyl β-hydroxy-β-methylbutyrate
JNURPEZKOSMRMZ-UHFFFAOYSA-Nmethyl 3-hydroxy-3-methylbutyrate3-Hydroxy-3-methylbutanoic acid methyl esterMFCD29054934methyl beta-hydroxy-beta-methylbutyratemethyl beta-hydroxyisovalerateSCHEMBL5856044-Bromo-2,18-diaminopyridine
Datenbank-Bezeichner
- CAS
6149-45-7- PubChem CID
- 521979
- DTXSID
DTXSID10334808- EC Number
- 837-668-5
- Nikkaji
- J127.891F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 107
Physikochemische Eigenschaften
- Siedepunkt
- 70 · 70-71 °C(Press: 10 Torr)
- Dichte
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.02 · 14.02±0.29(Predicted)
- LogP
- -0.001 · -0.001 (est)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H227
Chemie und Industrie
Anbieter29 Anbieter
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Compound Net Biotechnology Inc.15266686121 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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