2-methyl indole

indole, 2-methyl-

CAS: 95-20-5 C9 H9 N MW: 131.17773000 animal

Identification

Name2-methyl indole
IUPAC2-methyl-1H-indole
CAS Number95-20-5
EINECS202-398-3
FDA UNIII7CN58827I
Molecular FormulaC9 H9 N
Molecular Weight131.17773000
MDL NumberMFCD00005616
Nikkaji NumberJ3.949G
Beilstein0109781
XlogP32.50 (est)

Regulatory

DG SANTE Food Flavourings14.131 2-methylindole

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 59.00 to 61.00 °C. @ 760.00 mm Hg
Boiling Point 271.00 to 273.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.010000 mmHg @ 25.00 °C. (est)
Flash Point 286.00 °F. TCC ( 141.11 °C. )
logP (o/w) 2.530
Soluble in alcohol

Organoleptic Properties

Odor Description at 0.10 % in dipropylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 > 262 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryinformation only not used for fragrances or flavors
Recommendation for 2-methyl indole usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)400 (μg/person/day)
Threshold of Concern90 (μg/person/day)
Structure ClassIII
Dairy products, excluding products of category 02.0 (01.0)0.40000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.20000
Edible ices, including sherbet and sorbet (03.0)0.40000
Processed fruit (04.1)0.40000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)1.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.20000
Bakery wares (07.0)2.00000
Meat and meat products, including poultry and game (08.0)0.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.20000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)0.20000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.20000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)1.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.20000

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

indole, 2-methyl- 2- methyl-1H-indole 2- methylindole PubMed: 2-Methylindole as an indicative nucleophile for developing a three-component reaction of aldehyde with two different nucleophiles. PubMed: Functionalization of benzylic C(sp(3))-H bonds of heteroaryl aldehydes through N-heterocyclic carbene organocatalysis. PubMed: Rh(III)-catalyzed tandem C-H allylation and oxidative cyclization of anilides: a new entry to indoles. PubMed: Biochemical and pharmacological characterization of AZD1981, an orally available selective DP2 antagonist in clinical development for asthma. PubMed: An efficient one pot syntheses of aryl-3,3'-bis(indolyl)methanes and studies on their spectral characteristics, DPPH radical scavenging-, antimicrobial-, cytotoxicity-, and antituberculosis activity. PubMed: 3-(1,2-Di-p-tolyl-vin-yl)-2-methyl-1H-indole. PubMed: 1-(4-Meth-oxy-phen-yl)-2-methyl-1H-indole-3-carbonitrile. PubMed: 1-(4-Bromo-phen-yl)-2-methyl-1H-indole-3-carbonitrile. 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