6-Hydroxy-2,5,7,8-tetramethylchroman-2-carbonsure
Trolox
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Grundinformationen
- CAS
53188-07-1- Standard-SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2- InChIKey
GLEVLJDDWXEYCO-UHFFFAOYSA-N- Summenformel
- C14H18O4
- Durchschnittliche Molmasse
- 250,29 g/mol
- Monoisotopische Masse
- 250,12050906
Überblick
Trolox is a chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capacity of complex mixtures. It has a role as a ferroptosis inhibitor, an antioxidant, a radical scavenger, a neuroprotective agent and a Wnt signalling inhibitor. It is a chromanol, a monocarboxylic acid and a member of phenols.
Namen und Bezeichner
- Bevorzugter Name
- Trolox
- IUPAC
- 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
- Lokaler Name
- 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carbonsure
- Englischer Name
- Trolox
- Summenformel
- C14H18O4
- Molmasse
- 250.29
Namen und Synonyme
trolox53188-07-16-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidTROLOX C3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acidS18UL9710X6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acidCHEBI:82625DTXSID60866306(+--)-troloxRefChem:543360
Weitere Namen anzeigen
(+/-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACIDtroloxcTROLOX(R)trolox tm238813-1GTROLOXTM CTrolox(R),97%Trolox, 97% 1GRTrolox, 97% 5GR
DTXCID60220823(+--)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+--)-258-422-86-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acidMFCD0000684656305-04-52H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 343
Experimentelle und physikochemische Eigenschaften
Chemical ClassesAntioxidant
LogP2.61
Collision Cross Section149.97 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 187 · 187-189 °C (lit.)
- Siedepunkt
- 313.42 °C · 313.42°C (rough estimate)
- Dichte
- 1.0616 · 1.0616 (rough estimate)
- Brechungsindex
- 1.497 · 1.4970 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in DMSO (up to 25 mg/ml) or in Ethanol (up to 25 mg/ml). Also soluble in Water at alkalinepH.
- Aggregatzustand
- Crystalline Powder
- pka
- 3.35 · 3.35±0.20(Predicted)
- Farbe
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
Warning
H315 (98.9%): 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 90 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29339900
- RTECS-Nr.
- DJ2273000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Cellular LocationsMembrane
Verwendung und Herstellung
General Manufacturing Information2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capa ity of complex mixtures.
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