EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-methyl indole
1H-indole, 4-methyl-

Supplier Sponsors

Name:4-methyl-1H-indole
CAS Number: 16096-32-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-262-5
FDA UNII: 3338387XEA
Nikkaji Web:J236.662B
Beilstein Number:0111243
MDL:MFCD00005668
XlogP3-AA:2.40 (est)
Molecular Weight:131.17773000
Formula:C9 H9 N
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
Specific Gravity:1.06000 to 1.06400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.831 to 8.864
Refractive Index:1.60600 to 1.61000 @ 20.00 °C.
Melting Point: 5.00 °C. @ 760.00 mm Hg
Boiling Point: 267.00 °C. @ 760.00 mm Hg
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 2.540
Soluble in:
 water, 616.2 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.
4-Methylindole 98%
BST Tianjin Co.
4-Methylindole
Matrix Scientific
For experimental / research use only.
4-Methylindole, 95%
sds
Santa Cruz Biotechnology
For experimental / research use only.
4-Methylindole
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Methylindole 98%
sds
TCI AMERICA
For experimental / research use only.
4-Methylindole >98.0%(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 4-methyl indole usage levels up to:
 not for fragrance use.
 
Recommendation for 4-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 :85282
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methyl-1H-indole
Chemidplus:0016096325
 
References:
 4-methyl-1H-indole
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):85282
Pubchem (sid):135042722
 
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
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, 4-methyl-
1H-indole, 4-methyl-
4-methyl-1H-indole
4-methylindole
 

Articles:

PubMed:Tryptophan and indole analog mediated plastid transformation.
PubMed:Tobacco plastid transformation using the feedback-insensitive anthranilate synthase [alpha]-subunit of tobacco (ASA2) as a new selectable marker.
PubMed:Synthesis and biological activities of 4-trifluoromethylindole-3-acetic acid: a new fluorinated indole auxin.
PubMed:Use of 4-methylindole or 7-methyl-DL-tryptophan in a transformant selection system based on the feedback-insensitive anthranilate synthase alpha-subunit of tobacco (ASA2).
PubMed:Analysis of volatile compounds in fresh healthy and diseased peppers (Capsicum annuum L.) using solvent free solid injection coupled with gas chromatography-flame ionization detector and confirmation with mass spectrometry.
PubMed:Synthesis of the 2,3,4-trisubstituted indole fragments of nosiheptide and glycothiohexide.
PubMed:Rapid radical formation by DNA charge transport through sequences lacking intervening guanines.
PubMed:Substitution of an essential adenine in the U1A-RNA complex with a non-polar isostere.
PubMed:DNA mediated charge transport: characterization of a DNA radical localized at an artificial nucleic acid base.
PubMed:Importance of discriminator base stacking interactions: molecular dynamics analysis of A73 microhelix(Ala) variants.
PubMed:Recognition of the nonpolar base 4-methylindole in DNA by the DNA repair adenine glycosylase MutY.
PubMed:Factors Contributing to Aromatic Stacking in Water: Evaluation in the Context of DNA.
PubMed:Elements in abasic site recognition by the major human and Escherichia coli apurinic/apyrimidinic endonucleases.
PubMed:Non-hydrogen bonding 'terminator' nucleosides increase the 3'-end homogeneity of enzymatic RNA and DNA synthesis.
PubMed:Octanol/water partition coefficients for environmentally important organic compounds : Test of three RP-HPLC-methods and new experimental results.
PubMed:Selective monoamine oxidase inhibitors. 3. Cyclic compounds related to 4-aminophenethylamine. Preparation and neuron-selective action of some 5-(2-aminoethyl)-2,3-dihydroindoles.
 
Notes:
None found
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