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indole
General Material Information
| Preferred name | indole |
| Trivial Name | Indole |
| Short Description | 1-benzo(b)pyrrole |
| Formula | C8 H7 N |
| CAS Number | 120-72-9 |
| FEMA Number | 2593 |
| Flavis Number | 14.007 |
| ECHA Number | 204-420-7 |
| FDA UNII | 8724FJW4M5 |
| Nikkaji Number | J2.920C |
| Beilstein Number | 0107693 |
| MDL | MFCD00005607 |
| COE Number | 560 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1301 indole |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 120-72-9 ; INDOLE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 1H-indole | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 120-72-9 |
| Pubchem (cid): | 798 |
| Pubchem (sid): | 134975207 |
| Flavornet: | 120-72-9 |
| Pherobase: | View |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C00463 |
| HMDB (The Human Metabolome Database): | HMDB00738 |
| FooDB: | FDB012008 |
| Export Tariff Code: | 2933.90.0500 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •found in neroli oil in trace quantities approx 0.1% •constitutes 2.5% of jasmine oil •technical, cp, fcc | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 117.15078735352 |
| Melting Point | 51 to 54°C @ 760 mm Hg |
| Boiling Point | 253 to 254°C @ 760 mm Hg |
| Vapor Pressure | 0.0122 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 2.14 |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| propylene glycol | Yes |
| water, 3560 mg/L @ 25 °C (exp) | Yes |
| glycerin | No |
Organoleptic Properties
| Odor Type: Animal | |
| animal, floral, naphthyl, fecal, pungent, musty | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 400 hour(s) at 50.00 % in dipropylene glycol |
| Luebke, William tgsc, (1982) | At 1.00 % in dipropylene glycol. animal floral moth ball fecal naphthelene |
| Mosciano, Gerard P&F 26, No. 3, 80, (2001) | At 1.00 %. Pungent, floral, slightly naphtha and mothball like with a fecal and animalic musty character |
| Flavor Type: Animal | |
| animal, fecal, naphthyl, earthy, phenolic, chemical | |
| Mosciano, Gerard P&F 26, No. 3, 80, (2001) | At 0.30 - 2.00 ppm. Animal, fecal, naphthyl, with earthy, perfumey, phenolic and chemical nuances |
| General comment | Musky, faecal, cheese |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Carnation, Citrus, Civet, Coffee, Crabapple blossom, Floral, Gardenia, Grape concord grape, Honey, Honeysuckle, Jasmin, Jonquil, Lilac, Lily of the valley, Lotus, Mimosa, Narcissus, Neroli, Orange bitter orange peel, Orange blossom, Orchid, Oriental, Rose, Tobacco, Tuberose, Vanilla, Violet, Wallflower |
| Flavoring purposes | Chocolate cocoa, Egg, Olive, Orange bitter orange peel |
| Other purposes | Cinq fleurs forvil, Lumiere, Lux beauty shower soap, Vol de nuit |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
| R 21/22 - Harmful in contact with skin and if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 60 - This material and its container must be disposed of as hazardous waste. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Serious eye damage (Category 1), H318 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Acute aquatic toxicity (Category 1), H400 Chronic aquatic toxicity (Category 1), H410 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |    |
| Signal word | Danger |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H311 - Toxic in contact with skin H315 - Causes skin irritation H318 - Causes serious eye damage H335 - May cause respiratory irritation H400 - Very toxic to aquatic life H410 - Very toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 - Immediately call a POISON CENTER or doctor/physician. P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P361 - Remove/Take off immediately all contaminated clothing. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 1 % solution: non-sensitising. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M] 1000 mg/kg (Smyth et al., 1962) intraperitoneal-mouse LD50 117 mg/kg Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974. oral-mouse LDLo 1070 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. oral-rat LD50 1000 mg/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 790 mg/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. subcutaneous-mouse LD50 225 mg/kg Klinische Wochenscrift. Vol. 35, Pg. 504, 1957. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for indole usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 26.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 10.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.58000 | |
| beverages(nonalcoholic): | - | 0.26000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.28000 | |
| fruit ices: | - | 0.28000 | |
| gelatins / puddings: | 0.02000 | 0.40000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 24 (FGE.24): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 Flavouring Group Evaluation 24, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 77 (FGE77) [1] - Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev1 (2008) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 77, Revision 2 (FGE.77Rev2): Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev2 (2013) View page or View pdf |
| Safety and efficacy of pyridine and pyrrole derivatives belonging to chemical group 28 when used as flavourings for all animal species View page or View pdf |
| Scientific opinion on flavouring group evaluation 77, revision 3 (FGE.77Rev3): consideration of pyridine, pyrrole and quinoline derivatives evaluated by JECFA (63rd meeting) structurally related to pyridine, pyrrole, indole and quinoline derivatives evaluated by EFSA in FGE.24Rev2 View page or View pdf |
| EPI System: View |
| ClinicalTrials.gov:search |
| Daily Med:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA Substance Registry Services (TSCA):120-72-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :798 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2811 |
| WGK Germany:1 |
| 1H-indole |
| Chemidplus:0000120729 |
| RTECS:NL2450000 for cas# 120-72-9 |