999-40-6

Basic information

• Product Name: FEMA 2774
• Synonyms: 3,7-dimethyl-2,6-octadienylester,(z)-butanoicaci;FEMA 2774;CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTANOATE;NERYL BUTYRATE;NERYL BUTYRATE 90+%;Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester;Butyric acid (Z)-3,7-dimethyl-2,6-octadienyl ester;Butanoic acid 3,7-dimethyl-2,6-octadienyl ester
• CAS NO: 999-40-6
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34
• EINECS: 213-660-1
• Product Categories: Alphabetical Listings;Flavors and Fragrances;M-N
• Mol File: 999-40-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 240 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.898 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00116mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• CAS DataBase Reference: FEMA 2774(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2774(999-40-6)
• EPA Substance Registry System: FEMA 2774(999-40-6)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 999-40-6(Hazardous Substances Data)

Usage

Description

Neryl butyrate has a very sweet, leafy, floral, neroli-like odor and a sweet taste similar to cocoa. May be prepared by azeotropic esterification of nerol with butyric acid or conventionally using butyric anhydride.

Chemical Properties

Neryl butyrate has a very sweet, leafy, floral, neroli-like odor. It has a sweet taste similar to cocoa

Occurrence

Reported found in kumquat peel oil, black tea, mango and babaco fruit (Carica pentagona Heilborn)

Preparation

By azeotropic esterification of nerol with butyric acid or conventionally using butyric anhydride.

Taste threshold values

Taste characteristics at 20 ppm: green, fruity, fatty, floral, berry with some tropical nuances.

InChI:InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-

Upstream product

• 106-31-0 butanoic acid anhydride 
• 106-25-2 Nerol 
• 107-92-6 butyric acid 

Relevant articles and documents

New neryl esters from Helichrysum italicum (Roth) G. Don (Asteraceae) essential oil

Helichrysum italicum (immortelle) is a dwarf aromatic shrub native to the Mediterranean region. The typical subspecies (italicum) produces an essential oil rich in neryl acetate and characteristic β-diketones, italidiones, highly valued in the perfume industry. As esters are an important group of aroma-active volatiles, herein the composition of the ester fraction of this immortelle chemotype essential oil was studied in detail. Chromatographic separation of Corsican immortelle essential oil enabled the discovery of numerous potentially olfactory-interesting esters of nerol and/or angelic acid, undetectable by direct GC-MS analyses of the unfractioned oil. Four esters of nerol and medium-chain branched fatty acids represent new natural products, while several other esters have a rather restricted occurrence in the Plant Kingdom.

STEREOSELECTIVE LIPASE-CATALYSED ACYLATION OF TERPENIC ALLYLIC ALCOHOLS BY FATTY ACID ANHYDRIDES

Lipase from pancreatic powder preferentially catalyses the acylation of the E isomer of terpenic allylic alcohols using fatty acid anhydrides as the acylating agent.The course of the reaction can be described by a first-order equation.