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Safety Information

W259306

Sigma-Aldrich

Indole

≥99%, FG

Synonym(s):

1H-Benzo[b]pyrrole

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About This Item

Empirical Formula (Hill Notation):
C8H7N
CAS Number:
120-72-9
Molecular Weight:
117.15
FEMA Number:
2593
Beilstein:
107693
EC Number:
204-420-7
Council of Europe no.:
560
MDL number:
MFCD00005607
UNSPSC Code:
12164502
PubChem Substance ID:
24901173
Flavis number:
14.007
NACRES:
NA.21
Organoleptic:
pungent; floral; animal
grade:
FG
Fragrance grade
Kosher
biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
food allergen:
no known allergens

biological source

synthetic

Quality Level

400

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
GHS06,GHS09

Signal Word

Danger

Hazard Statements

H302,H311,H319,H400

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

249.8 °F - closed cup

Flash Point(C)

121 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W259306-100G:
W259306-BULK-K:
W259306-1KG:
W259306-10KG-K:4548173970936
W259306-SAMPLE-K:
W259306-25KG:
W259306-1KG-K:4548173970943
W259306-10KG:
W259306-25KG-K:4548173970950
W259306-VAR-K:
W259306-100G-K:4548173970929
W259306-SAMPLE:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP2220
SHBN0380
SHBM2134
SHBM0167
SHBL4259

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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)
Xueqing Geng et al.
The Plant cell, 24(11), 4763-4774 (2012-12-04)
The phytotoxin coronatine (COR) promotes various aspects of Pseudomonas syringae virulence, including invasion through stomata, growth in the apoplast, and induction of disease symptoms. COR is a structural mimic of active jasmonic acid (JA) conjugates. Known activities of COR are
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
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)
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)
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