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5-methyl indole
1H-indole, 5-methyl- (9CI)

Supplier Sponsors

Name:5-methyl-1H-indole
CAS Number: 614-96-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-400-9
FDA UNII: KT52363RI5
Nikkaji Web:J45.591A
MDL:MFCD00005680
XlogP3:2.70 (est)
Molecular Weight:131.17773000
Formula:C9 H9 N
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
5-Methylindole 97.0%
BST Tianjin Co.
5-Methylindole
Sigma-Aldrich: Aldrich
For experimental / research use only.
5-Methylindole 99%
sds
TCI AMERICA
For experimental / research use only.
5-Methylindole >99.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11978
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
5-methyl-1H-indole
Chemidplus:0000614960
 
References:
 5-methyl-1H-indole
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11978
Pubchem (sid):134977288
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2933.99.8290
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 indole, 5-methyl- (8CI)
1H-indole, 5-methyl- (9CI)
5-methyl-1H-indole
5-methylindole
 

Articles:

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.
 
Notes:
None found
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