(S)-3-Hydroxybuttersure

(S)-3-hydroxybutyric acid

HCID 94318CAS 6168-83-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
C[C@H](O)CC(=O)O
InChIKey
WHBMMWSBFZVSSR-VKHMYHEASA-N
Summenformel
C4H8O3
Durchschnittliche Molmasse
104,1 g/mol
Monoisotopische Masse
104,04734411

Namen und Bezeichner

Bevorzugter Name
(S)-3-hydroxybutyric acid
IUPAC
(3S)-3-hydroxybutanoic acid
Lokaler Name
(S)-3-Hydroxybuttersure
Englischer Name
(S)-3-HYDROXYBUTYRIC ACID
Summenformel
C4H8O3
Molmasse
104.1

Namen und Synonyme

(S)-3-Hydroxybutyric acid(3S)-3-hydroxybutanoic acidL-3-Hydroxybutyric acid(+)-3-Hydroxybutyric acid(S)-beta-hydroxybutyric acidL-(+)-3-Hydroxybutyric acidCHEBI:17290RefChem:408008(S)-3-hydroxybutanoic acid6168-83-8(S)-3-Hydroxybutanoate(3S)-3-hydroxybutyric acid
Weitere Namen anzeigen
(S)-3-HydroxybutyrateL-β-Hydroxybutyric acidLactic acid impurity 119(S)-β-Hydroxybutanoic acid(S)-(+)-3-HYDROXYBUTYRIC ACID
MFCD00137685Butanoic acid, 3-hydroxy-, (3S)-3-Hydroxybutanoic acid, (S)-L-beta-HydroxybutyrateVK6OM9M3WPL-(+)-b-Hydroxyisobutyrate(S)-b-Hydroxyisobutyric acidCHEMBL1162497

Datenbank-Bezeichner

CAS
6168-83-8
PubChem CID
94318
DTXSID
DTXSID80904613
ChEMBL
CHEMBL1162497
ChEBI
CHEBI:17290
UNII
VK6OM9M3WP
EC Number
228-209-4
Nikkaji
J618A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,5
Polarare Oberfläche (TPSA)
57,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Melting Point45 - 48 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
45 · 45-48 °C
Siedepunkt
269.2 · 269.2±0.0 °C(Predicted)
Dichte
1.195 · 1.195±0.06 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
pka
4.36 · 4.36±0.10(Predicted)
Aggregatzustand
solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]

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 40 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

F
3-10
wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsAdipose Tissue；Brain；Neuron；Skeletal Muscle
Cellular LocationsCytoplasm

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression.

Zugehörige Reaktionen

12
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…