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indole-3-carboxylic acid
1H-indole-3-carboxylic acid

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Name:1H-indole-3-carboxylic acid
CAS Number: 771-50-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:212-231-6
FDA UNII: 59711R38B0
Nikkaji Web:J113.034J
Beilstein Number:129435
XlogP3:2.00 (est)
Molecular Weight:161.16019000
Formula:C9 H7 N O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 1351 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Indole-3-carboxylic acid >98%
Odor: characteristic
Use: 1H-Indole-3-carboxylic acid can be found in the roots of Carpesium abrotanoides.
BST Tianjin Co.
Indole-3-carboxylic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
Indole-3-carboxylic Acid ReagentPlus®, 99%
For experimental / research use only.
Indole-3-carboxylic Acid >98.0%(T)(HPLC)
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
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:
natural substances and extractives
Recommendation for indole-3-carboxylic acid usage levels up to:
 not for fragrance use.
Recommendation for indole-3-carboxylic acid 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 :69867
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1H-indole-3-carboxylic acid
RTECS:NK7882892 for cas# 771-50-6
 1H-indole-3-carboxylic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69867
Pubchem (cas):771-50-6
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
KEGG (GenomeNet):C19837
HMDB (The Human Metabolome Database):HMDB03320
Export Tariff Code:2933.99.8290
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 apple fruit
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 barley sprout
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 broccoli asparagus broccoli plant
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 brussel sprout shoot
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 kelp wakame kelp
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1H-indole-3-carboxylic acid
Present in plants, e.g. apple (Pyrus malus), garden pea (Pisum sativum) and brassicas Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite (PMID 4844607) and has been found elevated in patients with liver diseases (PMID 13905029)
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