Articles:
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ethanol, 2-indol-3-yl-
Notes:
Indole-3-ethanol is a dietary indole present in cruciferous vegetables that has been shown to influence estradiol metabolism in humans and may provide a new chemopreventive approach to estrogen-dependent diseases. (PMID 2342128)
3-Indole ethanol has been identified as the hypnotic agent in trypanosomal sleeping sickness, and because it is formed in vivo after ethanol or disulfiram treatment, is also associated with the study of alcoholism. (PMID 7241135) [HMDB]
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| CAS Number: | 526-55-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-393-2 | |
| FDA UNII: | 5809LZ7G1U | |
| Nikkaji Web: | J6.661C | |
| Beilstein Number: | 0125553 | |
| MDL: | MFCD00005659 | |
| XlogP3: | 1.80 (est) | |
| Molecular Weight: | 161.20387000 | |
| Formula: | C10 H11 N O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome 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: | 59.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 357.80 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 338.00 °F. TCC ( 170.20 °C. ) (est) |
| logP (o/w): | 1.280 (est) |
| Soluble in: | |
| water, 2749 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. |
| 3-(2-Hydroxyethyl)indole 95% |
| BST Tianjin Co. |
| Tryptophol |
| Coompo |
| For experimental / research use only. |
| Tryptophol from Plants ≥96% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-(2-Hydroxyethyl)indole 97% |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Indoleethanol >98.0%(GC) |
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: | |
|
intraperitoneal-mouse LD50 351 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Toxicology and Environmental Health. Vol. 1, Pg. 515, 1976. intravenous-mouse LD50 180 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00777 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for tryptophol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for tryptophol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 526-55-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10685 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-(1H-indol-3-yl)ethanol | |
| Chemidplus: | 0000526556 |
| RTECS: | KL3685000 for cas# 526-55-6 |
References:
| 2-(1H-indol-3-yl)ethanol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10685 |
| Pubchem (sid): | 134978400 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C00955 |
| HMDB (The Human Metabolome Database): | HMDB03447 |
| FooDB: | FDB010973 |
| YMDB (Yeast Metabolome Database): | YMDB00577 |
| 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
| cucumber Search Trop Picture | |
| sunflower Search Trop Picture | |
| vitis spp. Search Trop Picture |
Synonyms:
| ethanol, 2-indol-3-yl- | |
| ethanol, 3-indolyl- | |
| 3-(2- | hydroxyethyl)-1H-indole |
| 3-(2- | hydroxyethyl)indole |
| 3-(b- | hydroxyethyl)indole |
| 3-b- | hydroxyethylindole |
| beta- | indol-3-yl ethanol |
| 2-(1H- | indol-3-yl)-ethanol |
| 2-(1H- | indol-3-yl)ethan-1-ol |
| 2-( | indol-3-yl)ethanol |
| 2-(1H- | indol-3-yl)ethanol |
| 2- | indol-3-ylethan-1-ol |
| 1H- | indole-3-ethanol |
| indole-3-ethanol (8CI) | |
| b-(3- | indole)ethanol |
| 3- | indoleethanol |
| 2- | indolyl(3)-ethanol |
| 2-(3- | indolyl)ethanol |
| 2-(3- | indolyl)ethyl alcohol |
| 3- | indolylethanol |