Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-

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Names

[ CAS No. ]:
58344-42-6

[ Name ]:
Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-

[Synonym ]:
4-Hydroxy Stiripentol
p-Hydroxy Stiripentol

Chemical & Physical Properties

[ Density]:
1.089g/cm3

[ Boiling Point ]:
379.1ºC at 760 mmHg

[ Molecular Formula ]:
C14H20O3

[ Molecular Weight ]:
236.30700

[ Flash Point ]:
183.1ºC

[ Exact Mass ]:
236.14100

[ PSA ]:
49.69000

[ LogP ]:
2.82100

[ Index of Refraction ]:
1.565

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL1970000
CHEMICAL NAME :
Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-
CAS REGISTRY NUMBER :
58344-42-6
LAST UPDATED :
199806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H20-O3
MOLECULAR WEIGHT :
236.34
WISWESSER LINE NOTATION :
1X1&1&YQ1U1R DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978

Safety Information

[ HS Code ]:
2909500000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
  • Pinacolone
  • Vanillin

DownStream

Customs

[ HS Code ]: 2909500000

[ Summary ]:
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%