CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | < 25 °C |
Kovats Retention Index | 2974 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 416.7 g/mol |
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XLogP3 | 10.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 12 |
Exact Mass | 416.365430770 g/mol |
Monoisotopic Mass | 416.365430770 g/mol |
Topological Polar Surface Area | 29.5 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 475 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Beta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. It has a role as a plant metabolite and a food component. It is a vitamin E and a tocopherol.