1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone

Modify Date: 2024-03-10 18:11:58

1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone Structure
1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone structure
 Common Name 1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone
CAS Number 67239-25-2 Molecular Weight 194.22700
Density 1.158 Boiling Point 381ºC at 760 mmHg
Molecular Formula C11H14O3 Melting Point N/A
MSDS N/A Flash Point 198.4ºC

 Names

Name 1-(3,4-dihydroxyphenyl)-3-methylbutan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.158
Boiling Point 381ºC at 760 mmHg
Molecular Formula C11H14O3
Molecular Weight 194.22700
Flash Point 198.4ºC
Exact Mass 194.09400
PSA 57.53000
LogP 2.32660
Index of Refraction 1.555

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1800000
CHEMICAL NAME :
Isovalerophenone, 3',4'-dihydroxy-
CAS REGISTRY NUMBER :
67239-25-2
BEILSTEIN REFERENCE NO. :
3255844
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O3
MOLECULAR WEIGHT :
194.25
WISWESSER LINE NOTATION :
QR BQ DV1Y1&1

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 :
650 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964

 Synthetic Route

1,2-Benzenediol structure

1,2-Benzenediol

CAS#:120-80-9

~%

1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone Structure

1-(3,4-Dihydrox...

CAS#:67239-25-2

Literature: Sharp and Dohme Inc. Patent: US2298291 , 1935 ; Full Text Show Details Sharp and Dohme Inc. Patent: US2078205 , 1935 ; Full Text Show Details Miller et al. Journal of the American Chemical Society, 1938 , vol. 60, p. 7,9
1,2-Benzenediol structure

1,2-Benzenediol

CAS#:120-80-9

3-Methylbutanoyl chloride structure

3-Methylbutanoy...

CAS#:108-12-3

~%

1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone Structure

1-(3,4-Dihydrox...

CAS#:67239-25-2

Literature: Sharp and Dohme Inc. Patent: US2298291 , 1935 ; Full Text Show Details Sharp and Dohme Inc. Patent: US2078205 , 1935 ; Full Text Show Details Miller et al. Journal of the American Chemical Society, 1938 , vol. 60, p. 7,9

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

3',4'-Dihydroxyisovalerophenone
ISOVALEROPHENONE,3',4'-DIHYDROXY
Isovalerophenone,4'-dihydroxy
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Chemsrc provides CAS#:67239-25-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone>> amp version: 1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone

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