3-Methylindole

Description

3-Methylindole · CAS 83-34-1 · C9H9N. UNII 9W945B5H7R. Boiling Point: 265-266 °C @ 755 MM HG; Boiling Point: 265.00 to 266.00 °C. @ 755.00 mm Hg; Melting Point: 95 °C.

Identification

CAS Registry Number	83-34-1
PubChem CID	6736
Molecular formula	C9H9N
IUPAC name	3-methyl-1H-indole
UNII (FDA)	9W945B5H7R
FEMA number	3019
JECFA number	1304

Computed Descriptors

Molecular Weight	131.17
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	131.073499291
Monoisotopic Mass	131.073499291
Topological Polar Surface Area	15.8
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	265-266 °C @ 755 MM HG
Boiling Point	265.00 to 266.00 °C. @ 755.00 mm Hg
Melting Point	95 °C
Melting Point	97.5 °C
Solubility	0.498 mg/mL
Vapor Pressure	0.0055 [mmHg]
Vapor Pressure	0.0055 mm Hg
LogP	LogP= 2.60
LogP	2.60
LogP	2.61

Physical description & handling notes

• White to brownish solid with a fecal odor; [Merck Index] Odor becomes pleasant and sweet at very low concentrations; [HSDB] White crystalline flakes with a stench; [MSDSonline]
• Solid
• White scales or powder; Mothball, putrid, decayed, faecal odour, jasmine-like or fruity upon dilution
• LEAVES FROM PETROLEUM ETHER; WHITE-BROWN SCALES
• White crystalline substance, browning upon aging.
• CHARACTERISTIC FECAL ODOR AT HIGH LEVELS, BECOMING PLEASANT, SWEET, AND WARM AT VERY LOW LEVELS

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/55
GHS notification summary	76% (304 / 400)

GHS Hazard Classification

GHS notification summary	76% (304 / 400)
Reported hazard statements	H315 (19.5%), H319 (23%), H335 (19.2%), H411 (17.5%)

Documented Uses

• Used in perfume fixatives, artificial civet (musk), food flavoring, and experimental veterinary medications; [HSDB]
• IN PERFUMERY (FIXATIVE), ARTIFICIAL CIVET
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• OBTAINED BY FUSING EGG ALBUMIN WITH POTASSIUM HYDROXIDE.
• SYNTHESIZED...BY HEATING GLYCEROL AND ANILINE IN THE PRESENCE OF ZINC CHLORIDE; ALSO BY TREATING THE PHENYLHYDRAZONE OF PROPIONIC ALDEHYDE WITH A CALCULATED AMT OF ZINC CHLORIDE IN AN OIL BATH @ 180 °C...

Synonyms

3-METHYLINDOLE; 3-Methyl-1H-indole; Skatole; 83-34-1; Scatole; 1H-Indole, 3-methyl-; Skatol; Indole, 3-methyl-; beta-Methylindole; FEMA No. 3019; DTXSID8021775; 3-methyl-indole; SKATOLUM; 9W945B5H7R; NSC-122024; CHEBI:9171

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Methylindole?

CAS 83-34-1; molecular formula C9H9N; molecular weight — g/mol.

What other names is 3-Methylindole known by?

3-METHYLINDOLE, 3-Methyl-1H-indole, Skatole, 83-34-1, Scatole, 1H-Indole, 3-methyl-.

What is the regulatory status of 3-Methylindole?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 3-Methylindole classified as hazardous?

76% of GHS notifications report no hazard classification (304 of 400).

What are the key physical properties of 3-Methylindole?

Boiling Point: 265-266 °C @ 755 MM HG; Boiling Point: 265.00 to 266.00 °C. @ 755.00 mm Hg; Melting Point: 95 °C; Melting Point: 97.5 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.