Basic information
- CAS
1721-51-3- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1- InChIKey
RZFHLOLGZPDCHJ-UHFFFAOYSA-N- Molecular formula
- C29H44O2
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.33413064
Overview
See also: Alpha-Tocotrienol (annotation moved to).
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-
- IUPAC
- 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
- English name
- (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol
- Molecular formula
- C29H44O2
- Molecular weight
- 424.66
Names & synonyms
DTXSID308627392H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-RefChem:484177DTXCID10811462985-062-5zeta1-Tocopherol5,7,8-TrimethyltocotrienolD-alpha-Tocotrienol2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-dl-alpha-Tocotrienol2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-olD-|A-Tocotrienol
Show more names
C14153ξ1-Tokoferolξ1-Tocopheroltocotrienol, alphaD-α-TocotrienolD-α-Tocotrienol, CAS 1721-51-3D-alpha-Tocotrienol (Rice) (>(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
(R)-a-Tocotrienolzeta1-Tokoferolxi1-Tocopheroldelta-alpha-tocotrienol42UVL44LY7Tocotrienol, 5,7,8-trimethylUNII-42UVL44LY7|_-Tocotrienol
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Melting point
- 30 · 30-31 °C
- Boiling point
- 541.7 · 541.7±50.0 °C(Predicted)
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
- Flash point
- Not applicable
- storage temp.
- 20 °C · −20°C
- pka
- 11.4 · 11.40±0.40(Predicted)
- form
- liquid
- color
- colorless to brown
- biological source
- rice
- InChIKey
- RZFHLOLGZPDCHJ-XZXLULOTSA-N
- SMILES
- O1[C@@](CCc2c1c(c(c(c2C)O)C)C)(CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C
- FDA UNII
- 42 UVL44LY7 · 42UVL44LY7
- EPA Substance Registry System
- 2 H-1-Benzopyran-6-ol, · 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)- (1721-51-3)
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 79 · NA.79
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
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationDirective (EC) No 46/2002
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-: ACTIVE
Applications
UsesAlpha-Tocotrienol is a vitamin E analog with anti-apoptotic neuroprotective action and antioxidant properties. Alpha-Tocotrienol prevents oxidative stress-independent apoptotic cell death, DNA cleavage, and nuclear morphological changes[1].
Suppliers24 total
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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