4771-48-6

Basic information

• Product Name: 4-METHYLINDOLE-3-CARBOXALDEHYDE
• Synonyms: 4-METHYLINDOLE-3-ALDEHYDE;4-METHYLINDOLE-3-CARBALDEHYDE;4-METHYLINDOLE-3-CARBOXALDEHYDE;4-METHYL-1H-INDOLE-3-CARBALDEHYDE;4-Methylindole-3-caboxaldehyde;1H-Indole-3-carboxaldehyde, 4-methyl- (9CI);4-methyl-1H-indole-3-carbaldehyde(SALTDATA: FREE);4-Methyl-1H-indole-3-carboxaldehyde
• CAS NO: 4771-48-6
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.18
• Product Categories: ALDEHYDE
• Mol File: 4771-48-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 192-194℃
• Boiling Point: 347 °C at 760 mmHg
• Flash Point: 171.6 °C
• Appearance: /
• Density: 1.226
• Vapor Pressure: 5.54E-05mmHg at 25°C
• Refractive Index: 1.698
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 15.86±0.30(Predicted)
• CAS DataBase Reference: 4-METHYLINDOLE-3-CARBOXALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLINDOLE-3-CARBOXALDEHYDE(4771-48-6)
• EPA Substance Registry System: 4-METHYLINDOLE-3-CARBOXALDEHYDE(4771-48-6)

Safety Data

• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 4771-48-6(Hazardous Substances Data)

Usage

Description

4-METHYLINDOLE-3-CARBOXALDEHYDE, commonly known as skatole, is an organic compound characterized by its strong and distinctive odor. It is a yellowish-white crystalline substance that is naturally produced from the breakdown of tryptophan in the digestive tract of mammals, significantly contributing to the fecal smell. Despite its unpleasant smell at high concentrations, in extremely dilute solutions, skatole can emit a pleasant aroma.

Uses

Used in Perfumery Industry:
4-METHYLINDOLE-3-CARBOXALDEHYDE is used as a fragrance ingredient for its ability to create earthy, jasmine-like scents. It is valued in the perfume industry for its unique olfactory properties, which can add depth and complexity to various fragrance compositions.
Used in Essential Oils:
In the production of essential oils, 4-METHYLINDOLE-3-CARBOXALDEHYDE is used as a natural component that may occur in small quantities in oils such as jasmine and orange blossom. Its presence contributes to the rich and nuanced aroma profiles of these essential oils, enhancing their appeal in perfumery and aromatherapy applications.

InChI:InChI=1/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3

Upstream product

• 141692-10-6 (3-formylindol-4-yl)thallium (III) bistrifluoroacetate 
• 59020-09-6 3-(trimethylstannyl)pyridine 
• 594-27-4 tetramethylstannane 

Downstream Products

• 1262322-65-5 C₁₈H₁₇NO₃S 

Relevant articles and documents

Propenone derivatives

The present invention relates to propenone derivatives represented by the following formula (I): STR1 wherein R1 represents hydrogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, or YR5 (wherein Y represents S or O; and R5 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, or a substituted or unsubstituted cyclic ether residue); R2 and R3 independently represent hydrogen, lower alkyl, or substituted or unsubstituted aralkyl, or alternatively R2 and R3 are combined to form substituted or unsubstituted methylene or ethylene; R4 represents hydrogen, hydroxy, lower alkyl, substituted or unsubstituted aralkyl, lower alkoxy, substituted or unsubstituted aralkyloxy, or halogen; and X represents substituted or unsubstituted indolyl; or pharmaceutically acceptable salts thereof.