97-89-2

Basic information

• Product Name: CITRONELLYL ISOBUTYRATE
• Synonyms: 2-methylpropanoicacid3,7-dimethyl-oct-6-en-1-ylester;3,7-Dimethyl-6-octenyl 2-methylpropanoate;Isobutyric acid, 3,7-dimethyl-6-octenyl ester;Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester;Propanoicacid,2-methyl-,3,7-dimethyl-6-octenylester;RHODINYL ISOBUTYRATE;CITRONELLYL ISOBUTYRATE;CITRONELLYL 2-METHYLPROPIONATE
• CAS NO: 97-89-2
• Molecular Formula: C₁₄H₂₆O₂
• Molecular Weight: 226.36
• EINECS: 202-616-7
• Product Categories: Alphabetical Listings;C-D;Flavors and Fragrances
• Mol File: 97-89-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: -22.4°C (estimate)
• Boiling Point: 253 °C(lit.)
• Flash Point: >230 °F
• Appearance: Colorless liquid
• Density: 0.875 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00215mmHg at 25°C
• Refractive Index: n20/D 1.442(lit.)
• CAS DataBase Reference: CITRONELLYL ISOBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: CITRONELLYL ISOBUTYRATE(97-89-2)
• EPA Substance Registry System: CITRONELLYL ISOBUTYRATE(97-89-2)

Safety Data

• WGK Germany: 2
• Hazardous Substances Data: 97-89-2(Hazardous Substances Data)

Usage

Description

Citronellyl Isobutyrate is a liquid with a sweet, fruity note and is used in perfumery for fruity, floral nuances. It has a sweet, fruity and rose-like odor with a slightly sweet, apricot-like taste. It is reported to have a taste threshold value of 25 ppm and is characterized by a waxy, fruity, green, citrus, and tropical nuance.

Uses

Used in Perfumery Industry:
Citronellyl Isobutyrate is used as a fragrance ingredient for its sweet, fruity, and rose-like odor. It is used to add fruity and floral nuances to perfumes and other scented products.
Used in Flavor Industry:
Citronellyl Isobutyrate is used as a flavoring agent for its slightly sweet, apricot-like taste. It is used to enhance the flavor of food and beverages, particularly those with fruity and tropical notes.
Used in Cosmetics Industry:
Citronellyl Isobutyrate is used as a scent ingredient in cosmetics and personal care products. Its sweet, fruity, and rose-like odor makes it suitable for use in products such as lotions, creams, and body sprays.
Used in Aromatherapy:
Citronellyl Isobutyrate can be used in aromatherapy for its pleasant and uplifting scent. It may be used in diffusers or blended with other essential oils to create a relaxing and refreshing atmosphere.

Preparation

By direct esterification of citronellol with isobutyric acid via azeotropic conditions or using isobutyric anhydride.

Flammability and Explosibility

Notclassified

InChI:InChI=1/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3/t13-/m1/s1

Upstream product

• 106-22-9 Citronellol 
• 79-31-2 isobutyric Acid 

Relevant articles and documents

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