1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid

Modify Date: 2023-01-16 18:44:25

1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid Structure
1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid structure
Common Name 1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid
CAS Number 121625-72-7 Molecular Weight 291.38500
Density 1.15g/cm3 Boiling Point 471.1ºC at 760mmHg
Molecular Formula C17H25NO3 Melting Point N/A
MSDS N/A Flash Point 238.7ºC

 Names

Name 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.15g/cm3
Boiling Point 471.1ºC at 760mmHg
Molecular Formula C17H25NO3
Molecular Weight 291.38500
Flash Point 238.7ºC
Exact Mass 291.18300
PSA 59.30000
LogP 3.23470
Vapour Pressure 1.11E-09mmHg at 25°C
Index of Refraction 1.561

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3367940
CHEMICAL NAME :
1H-Indole-3-acetic acid, 4,5,6,7-tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-tri methyl-
CAS REGISTRY NUMBER :
121625-72-7
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C17-H25-N-O3
MOLECULAR WEIGHT :
291.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 39,548,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 39,548,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 39,548,1989

 Synonyms

c 9001-go
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