INDOLE

PRODUCT IDENTIFICATION

CAS NO. 120-72-9

INDOLE

EINECS NO. 204-420-7
FORMULA C6H4(CHCN)CH
MOL WT. 117.15

H.S. CODE

2933.99.0500

TOXICITY

Oral rat LD50: 1000 mg/Kg
SYNONYMS

1-Azaindene; 1-Benzazole; 1-Benzo(b)pyrrole; 1H-Indole;

2,3-Benzopyrole; 2,3-Benzopyrrole; Benzopyrrole; Ketole;

SMILES c12c([nH]cc1)cccc2

CLASSIFICATION

 

EXTRA NOTES

FEMA No. 2593
EPA Pesticide Chemical Code 025000 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE White crystals with intense fecal odor
MELTING POINT 52 C
BOILING POINT

253 C

SPECIFIC GRAVITY

 

SOLUBILITY IN WATER 2.80 g/l at 25 C
pH  
VAPOR DENSITY

 

log P 2.14 (octanol-water)

REFRACTIVE INDEX

 

NFPA RATINGS Health: 2; Flammability: 1; Reactivity: 0
FLASH POINT

136 C

STABILITY Stable under normal conditions. Light sensitive

EXTERNAL LINKS & GENERAL DESCRIPTION

IWikipedia Linking

Google Scholar Search

Drug Information Portal (U.S. National Library of Medicine) - Indole

PubChem Compound Summary - Indole

Drug Bank -  Indole

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Indole

http://www.ebi.ac.uk/chebi/ -  Indole

http://www.ncbi.nlm.nih.gov/ -  Indole

Human Metabolome Database - Indole

Material Safety Data Sheet

http://toxnet.nlm.nih.gov/
Indole's production and use as a chemical intermediate, a perfume fixative, a synthetic flavor and possibly as a kairomone (a volatile chemical released by a plant to attract phytophagus insects) may result in its release to the environment through various waste streams. Indole is released directly to the environment as a component of tobacco smoke and occurs naturally in coal tar, jasmine oil and orange-blossom oil. If released to the atmosphere, indole will mainly exist in the vapor phase based on a experimental vapor pressure of 0.0122 mm Hg at 25 deg C. Vapor-phase indole is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals, nitrate radicals, and ozone with estimated half-lives of about 2 to 3 hours, < 1 minute, and 6 hours, respectively. An estimated Koc of 350 and a measured Koc of 187, for a synthetic soil, suggest that indole will have moderate mobility in soil. Volatilization from moist soil surfaces is not expected based on an estimated Henry's Law constant of 5.3X10-7 atm-cu m/mole. Indole is expected to readily biodegrade under both aerobic and anaerobic conditions in soil and water. Indole, added to Chernozem soil at 1 g/kg soil, was completely biodegraded in 19 days. It was completely biodegraded by suspensions of an organic soil under methanogenic and denitrifying conditions within 67 and 144 days, respectively; oxindole was reported as a metabolite of this process. Complete metabolism of indole by methanogenic sediments occurred within 33 days. In water, indole may adsorb to suspended matter in the water column based on its Koc value. Indole should not volatilize from water surfaces based on its Henry's Law constant. Bioconcentration in aquatic organisms should be low given an estimated BCF value of 25. Occupational exposure may occur through inhalation or dermal contact at workplaces where indole is produced or used. The general population will be exposed to indole via inhalation of ambient air, inhalation of tobacco smoke, ingestion of food, and dermal contact with vapors, food, perfumes and other products containing indole.

Local:
Indole, benzopyrrole, is a yellow crystalline powder with unpleasant aroma. It has the pyrrole ring (five-membered unsaturated ring structure composed of four carbon atoms and one nitrogen atom) which is fused to benzene ring. There are tautomerer called indolenine (unsubstituted 3H-indole) and structural isomer, isoindole. But they are unstable. Indole occurs in some plants or in coal tar, and is formed in the intestine during putrefaction and by certain cultures of bacteria. it is commercially synthesized from phenylhydrazine and pyruvic acid. Indole structure is a motif in nature. Prominent examples include tryptophan (aromatic side chain amino acid), serotonin (neurotransmitter), auxin (plant growth hormone), and indigo (plant colorant). One more interesting point is all these compounds have functional branches at 3 position. Indole is used in perfumery and in preparing tryptophan, one of the 20 amino acids commonly found in animal proteins. It has important application in the industry of plant growth. It is used to prepare indoleacetic acid (auxin) and other plant growth substances which help the development of roots in plant. It is used to make selective herbicides. Indole and its derivatives are widely used in making perfumes, dyes, agrochemicals and medicines.
 

SALES SPECIFICATION

APPEARANCE

white to slight yellow crystalline powder
ASSAY (G.C)

99.0% min

MOISTURE (K.F.)

0.5% max

LOSS ON DRYING

1.0% max

TRANSPORTATION
PACKING  
HAZARD CLASS 6.1 (Packing group : III)
UN NO. 2811
SAFETY INFORMATION

HAZARD OVERVIEW

OSHA Hazards:Harmful by ingestion., Toxic by skin absorption, Irritant

GHS

 

SIGNAL WORD Danger

PICTOGRAMS

HAZARD STATEMENTS

H312-H318-H410

P STATEMENTS

P273-P280-P280-P302+P352-P305+P351+P338-P310

EC DIRECTIVES

 

HAZARD CODES

RISK PHRASES

21/22-41-50

SAFETY PHRASES

26-29-36/37/39-61

PRICE INFORMATION