141-16-2

Basic information

• Product Name: CITRONELLYL BUTYRATE
• Synonyms: 2,6-Dimethyl-2-octen-8-ol, butyrate;2,6-dimethyl-2-octen-8-ol,butyrate;2,6-Dimethyl-2-octen-8-yl butyrate;2,6-dimethyl-2-octen-8-ylbutyrate;2,6-dimethyl-2-octen-8-yl-n-butyrate;3,7-dimethyl-6-octen-1-obutyrate;3,7-Dimethyl-6-octenyl butyrate;Butanoic acid, 3,7-dimethyl-6-octenyl ester
• CAS NO: 141-16-2
• Molecular Formula: C₁₄H₂₆O₂
• Molecular Weight: 226.36
• EINECS: 205-463-4
• Mol File: 141-16-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: -22.4°C (estimate)
• Boiling Point: 245 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.873 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00161mmHg at 25°C
• Refractive Index: n20/D 1.445(lit.)
• Water Solubility: 1.63mg/L at 20℃
• CAS DataBase Reference: CITRONELLYL BUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: CITRONELLYL BUTYRATE(141-16-2)
• EPA Substance Registry System: CITRONELLYL BUTYRATE(141-16-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 2
• RTECS: RH3430000
• Hazardous Substances Data: 141-16-2(Hazardous Substances Data)

Usage

Description

Citronellyl butyrate is an organic compound with a strong, fruity, and rose-like odor accompanied by a sweet, plum-like taste. It is found in various natural sources such as Ceylon citronella oil, orange juice, tomato, and passion fruit juice. This ester is characterized by its fruity, sweet, waxy, green taste with a perfume nuance at a concentration of 30 ppm.

Uses

Used in Flavor and Fragrance Industry:
Citronellyl butyrate is used as a flavoring agent for its sweet, fruity, and plum-like taste, adding a pleasant aroma to the final product. Its strong, rose-like odor also makes it a suitable candidate for use as a fragrance ingredient in the perfumery industry.
Used in Cosmetics and Personal Care Industry:
Due to its appealing scent and taste, citronellyl butyrate is utilized as an additive in the cosmetics and personal care industry. It can be found in various products such as lotions, creams, soaps, and shampoos, where it enhances the sensory experience for the user.
Used in the Food and Beverage Industry:
Citronellyl butyrate's natural occurrence in orange juice, tomato, and passion fruit juice makes it a valuable addition to the food and beverage industry. It is used to enhance the flavor and aroma of various products, contributing to a more enjoyable and appetizing consumer experience.

Preparation

By direct esterification of citronellol with butyric acid under azeotropic conditions or by treatment with butyric anhydride (Gildemeister & Hoffman, 1966).

Flammability and Explosibility

Notclassified

InChI:InChI=1/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3

Upstream product

• 106-22-9 Citronellol 
• 141-75-3 butyryl chloride 
• 107-92-6 butyric acid 
• 371-27-7 2,2,2-trifluoroethylbutyrate 

Related news

Lipase PS-catalyzed transesterification of CITRONELLYL BUTYRATE (cas 141-16-2) and geranyl caproate: Effect of reaction parameters09/30/2019

Pseudomonas sp. lipase PS was immobilized by adsorption and tested for its ability to catalyze the synthesis of citronellyl butyrate and geranyl caproate by transesterification in n-hexane. The reaction parameters investigated were: enzyme load, effect of substrate concentration, added water, te...detailed

Five-factor response surface optimization of the enzymatic synthesis of CITRONELLYL BUTYRATE (cas 141-16-2) by lipase IM77 from Mucor miehei10/01/2019

Response surface methodology (RSM) and a five-level-five-factor central composite rotatable design (CCRD) were used to evaluate the effects of synthetic variables, such as reaction time (3 to 27 h), temperature (25 to 65 °C), enzyme amount (10 to 50%), substrate molar ratio of citronellol to bu...detailed

Relevant articles and documents

Citronellol fatty acid ester derivative and application and preparation method thereof

The invention relates to a citronellol fatty acid ester derivative and an application and preparation method thereof. The citronellol fatty acid ester derivative is used as a transdermal absorption penetration enhancer for application and used for preparing a transdermal drug delivery preparation so that transdermal absorption of drugs can be improved, and the accumulative penetration amount of the drugs is increased. According to the citronellol fatty acid ester derivative, after reaction with thionyl chloride, fatty acyl chloride is prepared, then the fatty acyl chloride reacts with citronellol, and the citronellol fatty acid ester derivative is obtained. The citronellol fatty acid ester derivative can be applied to the transdermal drug delivery preparation, improves the penetration ability of the drugs, and can also be used as spice to mask the objectionable odor of the preparation.

Reptilian chemistry: volatile compounds from paracloacal glands of the American crocodile (Crocodylus acutus).

The secretion of the paracloacal glands of the American crocodile (Crocodylus acutus) contains over 80 lipophilic compounds, including saturated and unsaturated long-chain alcohols along with their formic, acetic, and butyric acid esters, and several isoprenoids. Most of these compounds were identified on the basis of mass spectra, obtained by GC-MS. In addition, identification of the major components was supported by infrared spectra obtained by GC-FTIR. Major differences are indicated in the composition of the paracloacal gland secretion of C. acutus and that of another crocodylid, the African dwarf crocodile (Osteolaemus tetraspis).

Process development for production of terpene esters using immobilized lipase in organic media

Suitable engineering strategies for removal and control of water generated during the esterification of citronellol with butyric acid, using a commercial lipase preparation (Novo's lipozyme) are investigated.The system is investigated under batch conditions to provide background information on the kinetics, and the role of water.Modification of the hydration state of the lipozyme during the reaction is the most important factor in inhibiting the ester synthesis in consecutive batch runs.Dehydration of the recovered enzyme can restore the activity to levels similar to those achieved in the initial batch run.A comparison of the influence of different dehydration techniques on the repeated batch use of lipozyme for terpene esters synthesis is presented in this paper.