Grundinformationen
- Standard-SMILES
COC(=O)C(C)(C)O- InChIKey
XYVQFUJDGOBPQI-UHFFFAOYSA-N- Summenformel
- C5H10O3
- Durchschnittliche Molmasse
- 118,13 g/mol
- Monoisotopische Masse
- 118,06299418
Überblick
Methyl-2-hydoxyisobutyric acid is a tertiary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Methyl alpha-hydroxyisobutyrate
- IUPAC
- methyl 2-hydroxy-2-methylpropanoate
- Lokaler Name
- Methyl-2-hydroxy-2-methylpropionat
- Englischer Name
- Methyl 2-hydroxyisobutyrate
- Summenformel
- C5H10O3
- Molmasse
- 118.13
Namen und Synonyme
Methyl alpha-hydroxyisobutyrateRefChem:869275Methyl 2-hydroxyisobutyrate2110-78-3Methyl 2-hydroxy-2-methylpropanoateMethyl 2-methyllactatePropanoic acid, 2-hydroxy-2-methyl-, methyl ester2-Hydroxyisobutyric Acid Methyl EsterMethyl 2-hydroxy-2-methylpropionateMethyl2-hydroxyisobutyratemethyl |A-hydroxyisobutyratemethyl 2-hydroxy-2-methyl-propanoate
Weitere Namen anzeigen
HBMMethyl 2-hydroxybutyrateMethyl α-hydroxyisobthyl α-hydroxyisobutyrateMathyl-2-Hydroxyisobutyrate
MFCD00004457Lactic acid, 2-methyl-, methyl esterMethyl .alpha.-hydroxyisobutyrateMethyl-2-hydoxyisobutyric acidNSC-7305NSC-9381AI3-09121methyl-2-hydroxyisobutyrate
Datenbank-Bezeichner
- CAS
2110-78-3- PubChem CID
- 75024
- DTXSID
DTXSID5062184- ChEBI
CHEBI:166494- UNII
- LV7R5J7XPV
- EC Number
- 218-301-2
- Nikkaji
- J24.771E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 95,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
Physical Description
Liquid
Colorless liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Siedepunkt
- 137 °C · 137 °C(lit.)
- Dichte
- 1.023 g/mL · 1.023 g/mL at 25 °C(lit.)
- Dampfdruck
- 8.36 hPa · 8.36hPa at 25℃
- Brechungsindex
- 20 · n20/D 1.411(lit.)
- Flammpunkt
- 108 °F · 108 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- Aggregatzustand
- Liquid
- pka
- 13.14 · 13.14±0.29(Predicted)
- Farbe
- Clear colorless
- Wasserlöslichkeit
- 1000 g/L · 1000g/L at 20℃
- BRN
- 1746607 · 1746607
- InChI
- 1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
- InChIKey
- XYVQFUJDGOBPQI-UHFFFAOYSA-N
- SMILES
- COC(=O)C(C)(C)O
- LogP
- -0.021 at · -0.021 at 23.5℃
- CAS Datenbank
- 2110 · 2110-78-3(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propanoic acid, 2-hydroxy-2-methyl-, methyl ester(2110-78-3)
- EPA chemische Informationen
- 2 · Methyl 2-methyllactate (2110-78-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 124 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Propanoic acid, 2-hydroxy-2-methyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-hydroxy-2-methyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23409
Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Inhalation may cause CNS depression and cardiac disturbances; [Acros Organics MSDS] See Butyl isobutyrate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29181990
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesCleaning agent
General Manufacturing Information
Computer and Electronic Product Manufacturing
Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: ACTIVE
Anwendungen
VerwendenMethyl 2-Hydroxy-2-methylpropanoate is commonly used as a solvent in coating compositions and as a cleaning component.
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