(R)-Dihydrolipoic acid

HCID 9834298

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Grundinformationen

CAS: 119365-69-4
Standard-SMILES: O=C(O)CCCC[C@@H](S)CCS
InChIKey: IZFHEQBZOYJLPK-SSDOTTSWSA-N
Summenformel: C8H16O2S2
Durchschnittliche Molmasse: 208,3 g/mol
Monoisotopische Masse: 208,0591721

Namen und Bezeichner

Bevorzugter Name: (R)-Dihydrolipoic acid
IUPAC: (6R)-6,8-bis(sulfanyl)octanoic acid
Englischer Name: (R)-6,8-Dimercaptooctanoic acid
Summenformel: C8H16O2S2
Molmasse: 208.34

Namen und Synonyme

(R)-dihydrolipoic acidDihydrolipoic acid, RDihydrolipoic acid, (R)-r-dihydrolipoic acid(6R)-6,8-dimercaptooctanoic acid(6R)-6,8-disulfanyloctanoic acidRDHLADihydrothioctic acid, (R)-(+)-6,8-Dithiooctanoic acid(6R)-6,8-bis(sulfanyl)octanoic acidOctanoic acid, 6,8-dimercapto-, (6R)-(R)-DHLA

Weitere Namen anzeigen

α-Dihydrolipoic acidLipoic Acid Impurity 32R-(+)-Dihydrolipoic acid(R)-6,8-Dimercaptooctanoicaci(R)-6,8-Dimercaptooctanoic acid

(6R)-DHLAUNII-00K1YL9Q69(R)-Dihydro-alpha-lipoic acid(R)-6,8-Dihydrothioctic acid(6R)-6,8-dihydrothioctic acid00K1YL9Q69CHEBI:45230R-DIHYDROLIPOIC ACID [WHO-DD]

Datenbank-Bezeichner

CAS: 119365-69-4
PubChem CID: 9834298
DTXSID: DTXSID60963521
ChEBI: CHEBI:45230
UNII: 00K1YL9Q69
EC Number: 663-883-7
Nikkaji: J67.184C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 39,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 12
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Siedepunkt: 361 °C · 361°C
Dichte: 1.134 · 1.134
Flammpunkt: 172 °C · 172°C
pka: 4.74 · 4.74±0.10(Predicted)
InChI: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChIKey: IZFHEQBZOYJLPK-SSDOTTSWSA-N
SMILES: C(O)(=O)CCCC[C@@H](S)CCS

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 38 reports by companies from 1 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.