Methyl 3-hydroxy-2-methylpropanoate

HCID 521128
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Grundinformationen

CAS
42998-03-8
Standard-SMILES
COC(=O)C(C)CO
InChIKey
ATCCIZURPPEVIZ-UHFFFAOYSA-N
Summenformel
C5H10O3
Durchschnittliche Molmasse
118,13 g/mol
Monoisotopische Masse
118,06299418

Namen und Bezeichner

Bevorzugter Name
Methyl 3-hydroxy-2-methylpropanoate
IUPAC
methyl 3-hydroxy-2-methylpropanoate
Englischer Name
methyl 3-hydroxy-2-methylpropanoate
Summenformel
C5H10O3
Molmasse
118.13

Namen und Synonyme

Methyl 3-hydroxy-2-methylpropanoatePropanoic acid, 3-hydroxy-2-methyl-, methyl esterRefChem:815493815-864-142998-03-8MFCD12194512Methyl (R)-(-)-3-HydroxyisobutyrateMethyl 3-hydroxy-2-methylpropanoate #3-Hydroxyisobutyric acid methyl estermethyl 3-hydroxy-2-methyl-propanoate2-methyl-3-hydroxypropionic acid methyl esterSCHEMBL295130
Weitere Namen anzeigen
methyl 3-hydroxy-2-methylpropanoate?Racemic required
orb3023429SCHEMBL1515141SCHEMBL2909414DTXSID101377124Methyl3-hydroxy-2-methylpropanoatemethyl 3-hydroxy-2-methylpropionate(+)-Methyl L-|A-hydroxyisobutyrateTN9592

Datenbank-Bezeichner

CAS
42998-03-8
PubChem CID
521128
DTXSID
DTXSID101377124
EC Number
815-864-1
Nikkaji
J730.436F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,1
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

860

2378

Physikochemische Eigenschaften

Schmelzpunkt
146 °C · 146 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7))
Siedepunkt
71 · 71-72 °C(Press: 10 Torr)
Dichte
1.05 · 1.050±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Storage temp. -20°C
pka
14.4 · 14.40±0.10(Predicted)
InChI
InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H227

Chemie und Industrie

Anbieter16 Anbieter

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

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