ChemicalBook--->CAS DataBase List--->148-03-8

148-03-8

148-03-8 Structure

148-03-8 Structure
IdentificationBack Directory
[Name]

5,8-DIMETHYLTOCOL
[CAS]

148-03-8
[Synonyms]

Neotocopherol
Cumotocopherol
Bata-Tocopherol
beta-tocopherol
p-Xylotocopherol
rac-β-Tocopherol
5,8-DIMETHYLTOCOL
Tocopherol,rac-b-
RAC-BETA-TOCOPHEROL
TOCOPHEROL, D-BETA-(P)
rac-β-Tocopherol solution
β-Tocopherol (Racemic Mixture)
DL-β-Tocopherol(Racemic Mixture)
beta-Tocopherol (Racemic Mixture)
rac-beta-Tocopherol (5,8-DiMethyltocol)
β-Tocopherol (1 mg/mL in hexane) (Racemic Mixture)
(2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
(2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
[EINECS(EC#)]

205-708-5
[Molecular Formula]

C28H48O2
[MDL Number]

MFCD00036171
[MOL File]

148-03-8.mol
[Molecular Weight]

416.68
Chemical PropertiesBack Directory
[Melting point ]

<25℃
[Boiling point ]

474.94°C (rough estimate)
[density ]

0.9882 (rough estimate)
[refractive index ]

1.4480 (estimate)
[Fp ]

-23 °C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Sparingly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol (
[form ]

Oil
[pka]

11.05±0.40(Predicted)
[color ]

Colourless to Yellow
[InChI]

InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/s3
[InChIKey]

WGVKWNUPNGFDFJ-UHFFFAOYSA-N
[SMILES]

[C@@]1(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC2=C(C)C=C(O)C(C)=C2CC1 |&1:0,5,10,r|
[LogP]

10.724 (est)
[EPA Substance Registry System]

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel- (148-03-8)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H225-H304-H315-H336-H361f-H373-H411
[Precautionary statements ]

P210-P260-P280-P301+P310-P370+P378-P403+P235
[Hazard Codes ]

F,Xn,N
[Risk Statements ]

11-38-48/20-51/53-62-67-65
[Safety Statements ]

36/37-61-62-16
[RIDADR ]

UN1208 3/PG 2
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
Hazard InformationBack Directory
[Description]

(±)-β-Tocopherol is a lipid-soluble form of vitamin E with antioxidant activity. It scavenges 2,2-diphenyl-1-picrylhydrazyl (DPPH; Item No. 14805) radicals with an EC50 value of 68.2 μM. (±)-β-Tocopherol (100 μM) inhibits LPS-induced COX-2 gene expression in mouse RAW 264.7 macrophage cells. Unlike (±)-α-tocopherol (Item No. 25985), (±)-β-tocopherol does not inhibit smooth muscle cell proliferation, decrease PKC activity, increase phosphoprotein phosphatase 2A (PP2A) activity, or modify expression of the α-tropomyosin gene. [Matreya, LLC. Catalog No. 1071]
[Uses]

One of the naturally occurring forms of Vitamin E. Is biologically less active than α-Tocopherol. This is the racemic mixture of all stereoisomers.
[Definition]

ChEBI: 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.
[References]

[1] REGINA BRIGELIUS-FLOHé  Maret G T. Vitamin E: function and metabolism[J]. FASEB Journal, 1999, 13 10: 1145-1155. DOI: 10.1096/fasebj.13.10.1145
[2] CHIY-RONG CHEN. Tocopherols and Triterpenoids from Sida acuta[C]//54 1. 2013: 41-45. DOI: 10.1002/jccs.200700008
[3] YUKIO MURAKAMI. Inhibitory effects of tocopherols on expression of the cyclooxygenase-2 gene in RAW264.7 cells stimulated by lipopolysaccharide, tumor necrosis factor-α or Porphyromonas gingivalis fimbriae.[J]. In vivo, 2013, 27 4: 451-458.
Spectrum DetailBack Directory
[Spectrum Detail]

β-Tocopherol(148-03-8)1HNMR
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