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Merck

W259306

Sigma-Aldrich

Indole

≥99%, FG

Sinónimos:

1H-Benzo[b]pyrrole

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About This Item

Fórmula empírica (notación de Hill):
C8H7N
Número de CAS:
Peso molecular:
117.15
FEMA Number:
2593
Beilstein/REAXYS Number:
107693
EC Number:
Council of Europe no.:
560
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
14.007
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥99%

impurities

≤250 ppm Hexane, residual (solvent)

bp

253-254 °C (lit.)

mp

51-54 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

pungent; floral; animal

SMILES string

c1ccc2[nH]ccc2c1

InChI

1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

Inchi Key

SIKJAQJRHWYJAI-UHFFFAOYSA-N

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General description

Indole is one of the main flavor constituents of green tea.

Biochem/physiol Actions

Taste at 0.3-2 ppm

Other Notes

Natural occurrence: Burley tobacco, butter, coffee, dried bonito, egg, fish, malt, rum, tea, and wine.

Pictograms

Skull and crossbonesEnvironment

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

249.8 °F - closed cup

flash_point_c

121 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves


Certificados de análisis (COA)

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Further Investigation of Flavor Constituents in Manufactured Green Tea
Yamanishi T, et al.
Agricultural and Biological Chemistry, 34(4), 599-608 (1970)
Hélène Gérard et al.
The Journal of organic chemistry, 78(18), 9233-9242 (2013-08-07)
The chemo-, regio-, and stereoselectivities of multicomponent [4 + 2]/[3 + 2] domino cycloaddition reactions involving nitroindole derivatives with vinylethers and acrylates are studied computationnally and compared to experimental results. In this process, the nitroarene first reacts as an electron-deficient
Sanjay Saikia et al.
Mycological research, 112(Pt 2), 184-199 (2008-02-12)
Indole-diterpenes are a structurally diverse group of secondary metabolites with a common cyclic diterpene backbone derived from geranylgeranyl diphosphate and an indole group derived from indole-3-glycerol phosphate. Different types and patterns of ring substitutions and ring stereochemistry generate this structural
Total synthesis of the tremorgenic indole diterpene paspalinine.
Masaru Enomoto et al.
Angewandte Chemie (International ed. in English), 51(51), 12833-12836 (2012-11-09)
Facile access to 3-acylindoles through palladium-catalyzed addition of indoles to nitriles: the one-pot synthesis of indenoindolones.
Yuanhong Ma et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 19(4), 1189-1193 (2012-12-15)

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