alpha-Tocopherolquinone

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Names

[ CAS No. ]:
7559-04-8

[ Name ]:
alpha-Tocopherolquinone

[Synonym ]:
2-(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-1,4-benzoquinone
2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-
EINECS 231-450-8

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
535.8±29.0 °C at 760 mmHg

[ Molecular Formula ]:
C29H50O3

[ Molecular Weight ]:
446.706

[ Flash Point ]:
291.9±20.8 °C

[ Exact Mass ]:
446.376007

[ PSA ]:
54.37000

[ LogP ]:
10.42

[ Vapour Pressure ]:
0.0±3.2 mmHg at 25°C

[ Index of Refraction ]:
1.486

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK5170000
CHEMICAL NAME :
p-Benzoquinone, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-tr imethyl-
CAS REGISTRY NUMBER :
7559-04-8
LAST UPDATED :
198910
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C29-H50-O3
MOLECULAR WEIGHT :
446.79
WISWESSER LINE NOTATION :
L6V DVJ B2XQ1&3Y1&3Y1&3Y1&1 C1 E1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
675 mg/kg
SEX/DURATION :
female 7-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 30,767,1975
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1980 mg/kg
SEX/DURATION :
female 7-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 30,767,1975

Safety Information

[ Safety Phrases ]:
S24/25

[ RTECS ]:
DK5170000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • DL-alpha-Tocopherol
  • (R,R,R)-α-tocopherol methyl ether
  • alpha-Tocopherol acetate
  • durohydroquinone
  • DUROQUINONE
  • 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde
  • 1,4-dimethoxy-2,3,5,6-tetramethylbenzene

DownStream

  • Vitamin E
  • 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol
  • DL-alpha-Tocopherol

Related Compounds

  • alpha-(2-9)-disialic acid
  • alpha-anilinobenzylidene-methyl-1-phenyl-2-pyrazolin-5-one
  • ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
  • alpha-D-erythro-Hexopyranos-3-ulose,2,6-dideoxy-,1-(dihydrogenphosphate)(9CI)
  • alpha,alpha'-bis(2-hydroxy-3,5-dinonylphenyl)-4-nonyl-2,6-xylenol
  • alpha-(3-Ethyl-2-benzofuranyl)-4-(4-methoxyphenyl)-1-piperazineethanol monohydrochloride
  • 6-Fluoropyridine-2-carbothioamide
  • 10-(3,5-Dimethylphenyl)-2,6-dioxa-9-azaspiro[4.5]decane
  • tert-butyl N-[4-(1-aminopropan-2-yl)-3-fluorophenyl]carbamate
  • 3-Amino-1-(2,2-dimethylbutyl)-1,4-dihydropyridin-4-one
  • tert-butyl N-[4-(2-aminocyclopropyl)-3-fluorophenyl]carbamate
  • 2-[1-(2-Chloro-1,3-thiazol-5-yl)cyclopropyl]-2-methoxyacetic acid
  • Tert-butyl 2-(2-methyl-1,3-thiazol-5-yl)piperazine-1-carboxylate
  • Tert-butyl 3-(azetidin-2-yl)piperidine-1-carboxylate
  • 4-chloro-1-(2,2,3-trimethylbutyl)-1H-pyrazol-3-amine
  • 2,2-Difluoro-3-(2-nitrophenyl)propanoic acid
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