Basic information
- CAS
7559-04-8- Standard SMILES
CC1=C(C)C(=O)C(CCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C)=C(C)C1=O- InChIKey
LTVDFSLWFKLJDQ-UHFFFAOYSA-N- Molecular formula
- C29H50O3
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.37599545
Overview
tocoquinone has been reported in Garcinia paucinervis and Ardisia cornudentata with data available.
Names & identifiers
- Preferred name
- 2-(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
- English name
- D-ALPHA-TOCOPHERYLQUINONE
- Molecular formula
- C29H50O3
- Molecular weight
- 446.71
Names & synonyms
2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dioneRefChem:251567D-alpha-tocopherylquinonevitamin E quinoneEutrophylD-?-Tocopherol QuinoneTensiopressVitapressinaIpotensilMetorenaTriminaa-Tocoquinone
Show more names
α-Tocopherolquinonetocopherylquinoneatqaldh7a1metarenewu:fi34d12wu:fi35e06TOCOQUINONEα-Phytochromealpha-tocoquinone
a-Tocopherolquinonea-Tocopheryl quinoneD-a-TocopherylquinoneA-0001d-.alpha.-TocoquinoneTocopherol Impurity 31Tocopherol Impurity 65.alpha.-Tocopherolquinone
Database identifiers
- CAS
7559-04-8- PubChem CID
- 24205
- ChEMBL
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- Boiling point
- 496 °C · 496°C (rough estimate)
- Density
- 1.0115 · 1.0115 (rough estimate)
- refractive index
- 1.492 · 1.492-1.496
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Viscous Liquid
- pka
- 14.99 · 14.99±0.29(Predicted)
- color
- Clear amber to red
- Stability
- Light Sensitive
- Cosmetics Ingredients Functions
- ANTIOXIDANTSKIN CONDITIONING
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 763 K43XR · ZO763K43XR
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- DK5170000
- hs_code
- 29146990
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 24/25
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesD-α-Tocopherol Quinone is an vitamin E derivative that exhibits antioxidant properties.D-α-Tocopherol Quinone has been shown to partially restore the activity of NADH dehydrogenase and used to investigate the electron transport system in rat hepatocyte and human erythrocyte.
Suppliers85 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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