6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (-)-
Basic information
- CAS
53174-06-4- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2- InChIKey
GLEVLJDDWXEYCO-AWEZNQCLSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (-)-
- IUPAC
- (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
- English name
- (S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
(S)-Trolox(S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(S)-(-)-TroloxUNII-O763YB84E3O763YB84E3(-)-6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (-)-2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (2S)-2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (S)-RefChem:199089625-557-253174-06-4
Show more names
Trolox (S)-IsomerTrolox Impurity 2 (Trolox (S)-Isomer)(S)-(-)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-C(S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid 98%(S)-(?)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(S)-6-Hydroxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid(S)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid(2S)-2,5,7,8-Tetramethyl-6-hydroxy-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
(S)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidMFCD00180756(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid(2S)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acidAKOS026675667(2S)-6-Hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxylic acid(S)-()-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(S)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylicacid
Database identifiers
- CAS
53174-06-4- PubChem CID
- 688071
- ChEMBL
CHEMBL1319514- UNII
- O763YB84E3
- EC Number
- 625-557-2
- Nikkaji
- J291.233C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 160 °C · 160 °C (dec.) (lit.)
- Boiling point
- 450.3 · 450.3±45.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 3.35 · 3.35±0.20(Predicted)
- color
- White to Pale Beige
- optical activity
- 26 · [α]26/D 65°, c = 1.2 in ethanol
- InChI
- 1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1
- InChIKey
- GLEVLJDDWXEYCO-AWEZNQCLSA-N
- SMILES
- Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(O)=O
- FDA UNII
- 763 YB84E3 · O763YB84E3
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-Trolox was used in studying antioxidant activities of viamin E analogs in water and a Kamlet-Taft β-value for water. It is also a reagent involved in synthesis of vitamin E.
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Compound notes
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