Methyl isobutyrate
Grundinformationen
- CAS
26161-42-2- Standard-SMILES
COC(=O)C(C)C- InChIKey
BHIWKHZACMWKOJ-UHFFFAOYSA-N- Summenformel
- C5H10O2
- Durchschnittliche Molmasse
- 102,13 g/mol
- Monoisotopische Masse
- 102,06807956
Überblick
Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It is functionally related to an isobutyric acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl isobutyrate
- IUPAC
- methyl 2-methylpropanoate
- Englischer Name
- POLY(L-LACTIDE)
- Summenformel
- C5H10O2
- Molmasse
- 102.1317
Namen und Synonyme
METHYL ISOBUTYRATE547-63-7Methyl 2-methylpropanoateMethyl 2-methylpropionatePropanoic acid, 2-methyl-, methyl esterIsobutyric acid, methyl esterFEMA No. 2694EM286QL922NSC-126780DTXSID5060275CHEBI:73689RefChem:157905
Weitere Namen anzeigen
PURASORB(R) PLResomer L 209SLACTEL BP-0600PURASORB(R) PL8PURASORB(R) PL6PURASORB(R) PL4PURASORB(R) PL2PURASORB(R) PL10Poly(L-lactided)L-LACTIDE POLYMER
DTXCID9041782208-929-5Methyl isobutanoate106989-11-1Methyl isobutyrate (natural)ISOBUTYRIC ACID METHYL ESTER26161-42-2Methylester kyseliny isomaselne
Datenbank-Bezeichner
- CAS
26161-42-2、547-63-7- PubChem CID
- 11039
- DTXSID
DTXSID5060275- ChEBI
CHEBI:73689- UNII
- EM286QL922
- EC Number
- 208-929-5、880-251-8
- Nikkaji
- J24.699I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 66,5
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Methyl isobutyrate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.884-0.888
Flavoring AgentsEU Flavoring substances
Solubility1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
91.00 to 93.00 °C. @ 760.00 mm Hg
90 °C
Melting Point-84.7 °C
Refractive Index1.382-1.386
Physical Description
Liquid
colourless liquid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1750 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-methyl-, methyl ester
REACH registered substance: Methyl isobutyrate (EC: 208-929-5)
Methyl isobutyrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 2-methyl-, methyl ester: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 2 (> 99.9%)
Sicherheitsdaten
- wgk
- 3
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPropanoic acid, 2-methyl-, methyl ester: ACTIVE
Anwendungen
VerwendenMedical device
Zugehörige Reaktionen
114
Notizen zur Verbindung
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