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

Modify Date: 2025-10-23 05:59:50

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

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

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
InChIKey	VTUCUFBISPCBQM-UHFFFAOYSA-N
SMILES	Cc1c(CC(=O)O)c2c(n1CC(C)C)CC(C)(C)CC2=O

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

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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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