Basic information
- CAS
25612-59-3- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1- InChIKey
ODADKLYLWWCHNB-LDYBVBFYSA-N- Molecular formula
- C27H40O2
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.30283051
Names & identifiers
- Preferred name
- Delta-Tocotrienol
- IUPAC
- (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
- English name
- tocotrienol, delta
- Molecular formula
- C27H40O2
- Molecular weight
- 396.61
Names & synonyms
delta-Tocotrienol25612-59-3Tocotrienol, delta1SRB74OWSIDTXSID30180288(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-olJ17.358DCHEBI:332762H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,8-DIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIEN-1-YL)-, (2R)-2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-2R,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Show more names
D-D-TOCOTRIENOLTOCOTRIENOL, D-DELTA-δ-TocotrienoD-δ-Tocotrienol(R)-δ-TocotrienolD-delta- Tocotrienol(-)-delta-TocotrienolDeltadelta-tocotrienol
(2R)-2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-2R,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-olDELTA TOCOTRIENOLRefChem:585693DTXCID40102779607-758-78-Methyltocotrienol
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 596
Experimental & physicochemical properties
Kovats Retention Index
2985
3072.7
Physicochemical properties
- Boiling point
- 517.3 · 517.3±39.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Liquid
- pka
- 10.69 · 10.69±0.40(Predicted)
- color
- Pale Yellow to Orange
- biological source
- rice
- Stability
- Light Sensitive
- Major Application
- pharmaceutical (small molecule)vitamins, nutraceuticals, and natural products
- InChIKey
- ODADKLYLWWCHNB-LDYBVBFYSA-N
- SMILES
- [C@@]1(C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OC2=C(C)C=C(O)C=C2CC1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 104 of 104 reports by companies.；There are 0 notifications provided by 0 of 104 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationDirective (EC) No 46/2002
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory InformationDirective (EC) No 46/2002
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- hs_code
- 29061990
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H225
- Precautionary statements
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Applications
Usesδ-Tocotrienol is a natural substance with vitamin E activity. It can work as an antioxidant. It inhibits the growth of human breast cancer cells.
Suppliers94 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
3 records
Compound notes
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