IUPAC Name: 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid
CAS: 56305-04-5
EINECS: 258-422-8
Following is the Molecular Structure of Trolox C (56305-04-5):
SMILES: O=C(O)C2(Oc1c(c(c(O)c(c1CC2)C)C)C)C
InChI: InChI=1/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)
InChIKey: GLEVLJDDWXEYCO-UHFFFAOYAU
Std.InChI: 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)
Std.InChIKey: GLEVLJDDWXEYCO-UHFFFAOYSA-N
Molecular Formula: C14H18O4
Molecular Weight: 250.29
Melting Point: 187-189℃(lit.)
Boiling Point: 450.3℃ at 760mmHg
Flash Point: 171℃
Molar Volume: 205.2cm3
Density: 1.219g/cm3
Index of Refraction: 1.567
Molar Refractivity: 67.1cm3
Surface Tension: 48.4dyne/cm
Polarizability: 26.6 10-24cm3
Enthalpy of Vaporization: 74.73kJ/mol
Vapour Pressure: 6.8E-09mmHg at 25℃
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1700mg/kg (1700mg/kg) | Journal of the American Oil Chemists' Society. Vol. 52, Pg. 174, 1975. | |
mouse | LD50 | oral | 1630mg/kg (1630mg/kg) | Journal of the American Oil Chemists' Society. Vol. 52, Pg. 174, 1975. | |
mouse | LD50 | subcutaneous | 1930mg/kg (1930mg/kg) | Journal of the American Oil Chemists' Society. Vol. 52, Pg. 174, 1975. | |
rabbit | LD50 | oral | > 2gm/kg (2000mg/kg) | Journal of the American Oil Chemists' Society. Vol. 52, Pg. 174, 1975. | |
rat | LD50 | intraperitoneal | 1800mg/kg (1800mg/kg) | Journal of the American Oil Chemists' Society. Vol. 52, Pg. 174, 1975. | |
rat | LD50 | oral | 4300mg/kg (4300mg/kg) | Journal of the American Oil Chemists' Society. Vol. 52, Pg. 174, 1975. |
Hazard Codes: Xi Irritant.
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: Very Toxic by inhalation.
S36: Irritating to the eyes.
WGK: Germany 2
RTECS: DJ2273000
Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes.
Trolox C (56305-04-5) also can be called for Timtec-bb sbb005933 ; Trolox ; Trolox(r) ; Troloxtm C ; 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid ; (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid ; 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic ; 6-Hydroxytetramethylchroman-2-carboxylicacid . Trolox C (56305-04-5) is a white to light beige crystalline powder.When heated to decomposition it emits acrid smoke and irritating fumes.
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