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

Chemical Properties

Citronellyl butyrate has a strong, fruity and rose-like odor with sweet, plum-like taste.

Occurrence

Reported in Ceylon citronella oil, orange juice, tomato, passion fruit and juice.

Preparation

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

Taste threshold values

Taste characteristics at 30 ppm: fruity, sweet, waxy, green with perfume nuance

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).

Lipase-catalysed transesterification using 2,2,2-trifluoroethyl butyrate: Effect of temperature on rate of reaction and enantioselectivity

Temperature of the reaction and the solvent used markedly influenced the enantioselectivity and rate of transesterification reaction catalysed by Candida cylindracea between 2,2,2-trifluoroethyl butyrate (TFEB) and 3,7-dimethyl-6-octenol, and that between TFEB and 2,2-dimethyl-1,3-dioxolane-4-methanol.