Grundinformationen
- CAS
26999-06-4- Standard-SMILES
CCCC(=O)OCC(O)CO- InChIKey
RIEABXYBQSLTFR-UHFFFAOYSA-N- Summenformel
- C7H14O4
- Durchschnittliche Molmasse
- 162,18 g/mol
- Monoisotopische Masse
- 162,08920893
Überblick
Monobutyrin is a 1-monoglyceride resulting from the formal esterification of butyric acid with one of the primary hydroxy groups of glycerol. The R enantiomer is bioactive. It is a diol, a fatty acid ester, a 1-monoglyceride and a butyrate ester. It is functionally related to a butyric acid.
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dihydroxypropyl butanoate
- IUPAC
- 2,3-dihydroxypropyl butanoate
- Lokaler Name
- 2,3-Dihydroxypropylbutyrat
- Englischer Name
- 1-MONOBUTYRIN
- Summenformel
- C7H14O4
- Molmasse
- 162.18
Namen und Synonyme
557-25-5MonobutyrinButanoic acid, 2,3-dihydroxypropyl ester2,3-dihydroxypropyl butanoateGlycerol-alpha-mono-n-butyrate0YT8423E8UNSC-8451CHEBI:76503DTXSID70871764DTXSID001054147RefChem:819273DTXCID40819390
Weitere Namen anzeigen
1-ButyrinBUTYRIN, MONO1-Monotetranoin1-BUTYROYLGLYCEROLGlycerin α-butyrate
209-165-51-MONOBUTYRIN2,3-Dihydroxypropyl butyratealpha-Monobutyrin1-Butyrylglycerol.alpha.-MonobutyrinButyrin, 1-mono-Mono-n-butyrin
Datenbank-Bezeichner
- CAS
26999-06-4、557-25-5- PubChem CID
- 11188
- DTXSID
DTXSID70871764- ChEMBL
CHEMBL1987276- ChEBI
CHEBI:76503- UNII
- 0YT8423E8U
- EC Number
- 209-165-5、248-160-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 113
Experimentelle und physikochemische Eigenschaften
LogP-0.17
Physikochemische Eigenschaften
- Siedepunkt
- 153 °C · 153 °C (7 mmHg)
- Dichte
- 1.09 · 1.09
- Brechungsindex
- 1.445 · 1.445-1.453
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Sparingly)
- Aggregatzustand
- Oil
- pka
- 13.16 · 13.16±0.20(Predicted)
- Farbe
- Colourless to Grey
- InChI
- 1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
- InChIKey
- RIEABXYBQSLTFR-UHFFFAOYSA-N
- SMILES
- CCCC(=O)OCC(O)CO
- EPA chemische Informationen
- 2 · Butanoic acid, 2,3-dihydroxypropyl ester (557-25-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationButanoic acid, 2,3-dihydroxypropyl ester: INACTIVE
Anwendungen
VerwendenGlycerol 1-Monobutyrate functions as a key regulatory molecule in angiogenic process.
Anbieter83 Anbieter
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
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