Indole
Also known as 1H-Indole, 2,3-Benzopyrrole, Indol
Key facts
What buyers check first
- Appearance
- Leaflets (water, petroleum), crystals (ether)
- Melting point
- 52 °C
- Boiling point
- 253 °C
- Density
- 1.22 g/cm³ at 25 °C
- Solubility
- SOL IN HOT WATER, HOT ALC, ETHER, BENZENE
- HS code
- 293399
- Category
- Synthetic aroma chemicals

What is Indole?
Plain description, key identifiers and synonyms
1H-indole is an indole and a polycyclic heteroarene. It has a role as an Escherichia coli metabolite. It is a tautomer of a 3H-indole.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1H-indole
- CAS number
- 120-72-9 CAS number cross-checkedOther or deprecated CAS: 82451-55-6
- EC number
- 204-420-7
- Molecular formula
- C8H7N
- UNII
- 8724FJW4M5
- MDL number
- MFCD00005607
- INCI name
- INDOLE
- InChIKey
- SIKJAQJRHWYJAI-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
- SMILES (canonical and isomeric)
- C1=CC=C2C(=C1)C=CN2
Synonyms
- 1H-Indole
- 2,3-Benzopyrrole
- Indol
- 1-Azaindene
- 1-Benzazole
- Ketole
- Benzopyrrole
- Indole, 3-Benzopyrrole, 1-benzazole
- 2,3-Benzopyrole
- Indole (natural)
- 1-Benzo(b)pyrrole
- 1H-Benzo[b]pyrrole
- Benzo[b]pyrrole
- IND
- benzazole
- mono-indole
- 1-H-indole
- Indole, 7
- Indolum
- Indole (8CI)
- Dolasetron Impurity 6
- 1H-Indole (9CI)
- Indole, >=99%
- Indole, analytical standard
- Indole, >=99%, FG
Show all 27 synonymsShow fewer synonyms
- Indole benzo-pyrrole
- Indole 100 |Ig/mL in Acetonitrile
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Leaflets (water, petroleum), crystals (ether)exp.Measured value |
|---|---|
| Odour | ALMOST FLORAL ODOR WHEN HIGHLY PURIFIED, OTHERWISE EXHIBITS CHARACTERISTIC ODOR OF FECESexp.Measured value |
| Melting point | 52 °Cexp.Measured value |
| Boiling point | 253 °Cexp.Measured value |
| Density | 1.22 g/cm³ at 25 °Cexp.Measured value |
| Solubility | SOL IN HOT WATER, HOT ALC, ETHER, BENZENEexp.Measured value |
| Vapour pressure | 0.0122 mm Hg at 25 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 117.15 g/molcalc.Computed value |
|---|---|
| Exact mass | 117.0578 Dacalc.Computed value |
| LogP (octanol/water) | 2.17calc.Computed value |
| Topological polar surface area | 15.79 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 9calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc2[nH]ccc2c1
2 rings, 9 atoms. This chemical is the scaffold itself.
25,097 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H311Toxic in contact with skin.
- H318Causes serious eye damage.
Precautionary statements (15)
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P317Get medical help.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidIndole suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, JiaxingUnclaimed profileIndoleGrade, purity and minimum order on requestPrice on request
- China, JiaxingUnclaimed profileIndoleGrade, purity and minimum order on requestPrice on request
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- ChinaUnclaimed profileIndoleGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileIndoleGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
165 suppliers in 15 countries
- China65
- United States43
- India22
- Germany7
- United Kingdom6
- Spain3
- and 9 more countries
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Indole price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Used in perfumery.
Synthetic flavor.
Chemical reagent.
Used as a chemical intermediate for the synthesis of indol-3-ylacetic acid, 4-indol-3-ylbutyric acid, L-tryptophan.
Industrial uses: Laboratory chemicals.
Consumer uses: Fragrance.
Industries and functions
Cosmetic ingredient, INCI name INDOLE(perfuming)
Roles
- Escherichia coli metabolite
- bacterial metabolite
- metabolite
- prokaryotic metabolite
Functional uses
- Flavouring and nutrient
- Fragrance
Cosmetic functions
- Perfuming
How it is made
Prepn from o-formotoluide: tyson, org syn coll vol III, 479 (1955), by dehydrocyclizing ortho alkyl anilines: erner et al, us patent 2,953,575 (1960 to houdry process), from n-(2-tolyl)-n'-methyl-n'-phenylformamidine: lorenz et al, j org chem 30, 2531 (1965).
Obtained from 240-260 °c fraction from coal tar: weissgerber, chemische berichte 43, 3520 (1910), from feces: bergeim, j biol chem 32, 17 (1917).
Can be prepared also by redn of indoxyl, indoxyl carboxylic acid, or indigo.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Indole is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Indole is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Indole, based on the data on this page
What is Indole?
What is the CAS number of Indole?
What is the molecular formula and weight of Indole?
What is Indole used for?
Is Indole hazardous?
What is the HS code of Indole?
Where can I buy Indole?
Where can I buy Indole in India?
What is the price of Indole?
Guides for buyers
Practical guides that help when you source, ship or handle Indole
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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