5-methyl indole
1H-indole, 5-methyl- (9CI)
Identification
| Name | 5-methyl indole |
| IUPAC | 5-methyl-1H-indole |
| CAS Number | 614-96-0 |
| EINECS | 210-400-9 |
| FDA UNII | KT52363RI5 |
| Molecular Formula | C9 H9 N |
| Molecular Weight | 131.17773000 |
| MDL Number | MFCD00005680 |
| Nikkaji Number | J45.591A |
| XlogP3 | 2.70 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 60.00 °C. @ 760.00 mm Hg |
| Boiling Point | 267.00 °C. @ 760.00 mm Hg |
| Flash Point | 238.00 °F. TCC ( 114.70 °C. ) (est) |
| logP (o/w) | 2.680 |
| Soluble in | water, 467.9 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 5-methyl indole usage levels up to | not for fragrance use. |
| Recommendation for 5-methyl indole flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
indole, 5-methyl- (8CI)
1H-
indole, 5-methyl- (9CI)
5-
methyl-1H-indole
5-
methylindole
PubMed:
Biotransformation of Indole and Its Derivatives by a Newly Isolated Enterobacter sp. M9Z.
PubMed:
Partitioning and localization of environment-sensitive 2-(2'-pyridyl)- and 2-(2'-pyrimidyl)-indoles in lipid membranes: a joint refinement using fluorescence measurements and molecular dynamics simulations.
PubMed:
3,3'-diindolylmethane induction of p75NTR-dependent cell death via the p38 mitogen-activated protein kinase pathway in prostate cancer cells.
PubMed:
Exploration of physicochemical properties and molecular modelling studies of 2-sulfonyl-phenyl-3-phenyl-indole analogs as cyclooxygenase-2 inhibitors.
PubMed:
Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
PubMed:
1H NMR spectral studies on the polymerization mechanism of indole and its derivatives.
PubMed:
Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors.
PubMed:
Mass analyzed threshold ionization spectroscopy of 5-methylindole and 3-methylindole cations and the methyl substitution effect.
PubMed:
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.
PubMed:
NMR studies of the mode of binding of corepressors and inducers to Escherichia coli trp repressor.
PubMed:
Structural features of L-tryptophan required for activation of TRAP, the trp RNA-binding attenuation protein of Bacillus subtilis.
PubMed:
The mechanism of Escherichia coli tryptophan indole-lyase: substituent effects on steady-state and pre-steady-state kinetic parameters for aryl-substituted tryptophan derivatives.
PubMed:
Three drugs inhibit phospholipase A2-induced high permeability of endothelial monolayers.
PubMed:
Evidence for dual La and L b emission in 5-methylindole.
PubMed:
Utilization of indole analogs by carrot and tobacco cell tryptophan synthase in vivo and in vitro.
PubMed:
Effects of simple indoles, noradrenaline, nicotine, and tyramine on action potential and contractility of the isolated guinea-pig papillary muscle.
PubMed:
The therapeutic activity of 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid monohydrate glucosamide in rheumatoid arthritis (double blind trial).
PubMed:
New regulatory mutation affecting some of the tryptophan genes in Pseudomonas putida.
PubMed:
Some analogs of 1-p-chlorobenzyl-5-methylindole-3-acetic acid.
PubMed:
1-P-CHLOROBENZYL-5-METHYLINDOLE-3-ACETIC ACID. SOME 2-SUBSTITUTED DERIVATIVES.