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methyl indole-1-carboxylate

General Material Information

Trivial Name methyl indole-1-carboxylate
Short Description 1H-indole-1-carboxylic acid, methyl ester
Formula C10 H9 N O2
CAS Number 39203-20-8
FDA UNII Search
Nikkaji Number J1.074.965D
MDL MFCD11656094
xLogP3-AA 2.30 (est)
NMR Predictor External link
Synonyms
  • indole-1-carboxylic acid methyl ester
  • 1H- indole-1-carboxylic acid, methyl ester
  • methyl 1H-indole-1-carboxylate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

methyl indole-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12361768
Pubchem (sid):38402452
Publications by US Patents
7,632,956 - Fragrance ingredients, applications, compositions and methods

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
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 175.18713378906
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 129.8 °C TCC
logP (o/w) 2.634 est
Solubility
alcohol Yes
water, 1413 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Citrus
orange, grape, orangeflower, lily
General comment At 1.00 % in dipropylene glycol. orange anthranilate yara yara ocimene

Safety Information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
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 methyl indole-1-carboxylate 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 :12361768
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
methyl indole-1-carboxylate