20286-45-7

Basic information

• Product Name: 1-ethylhexyl butyrate
• Synonyms: 1-ethylhexyl butyrate;Butanoic acid, 1-ethylhexyl ester;Einecs 243-687-4;3-OCTYL BUTYRATE
• CAS NO: 20286-45-7
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.31776
• EINECS: 243-687-4
• Mol File: 20286-45-7.mol

Chemical Properties

• Melting Point: -56°C (estimate)
• Boiling Point: 238.06°C (estimate)
• Flash Point: 94°C
• Appearance: /
• Density: 0.8678 (estimate)
• Vapor Pressure: 0.0609mmHg at 25°C
• Refractive Index: 1.3966 (estimate)
• CAS DataBase Reference: 1-ethylhexyl butyrate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ethylhexyl butyrate(20286-45-7)
• EPA Substance Registry System: 1-ethylhexyl butyrate(20286-45-7)

Safety Data

• Hazardous Substances Data: 20286-45-7(Hazardous Substances Data)

Usage

General Description

1-Ethylhexyl butyrate, also known as butanoic acid 1-ethylhexyl ester, is a chemical compound that has the formula C12H24O2. It is a colorless liquid with a fruity odor, and it is commonly used as a flavoring agent and fragrance ingredient in various products such as cosmetics, perfumes, and food products. It is a member of the ester family, and it is typically obtained through the esterification of butyric acid with 2-ethylhexanol. The compound is known for its pleasant smell and is often used to impart a fruity or buttery aroma to products. It is considered safe for use in these applications and is commonly found in household and personal care products.

InChI:InChI=1/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3

Upstream product

• 343940-00-1 C₁₀H₂₀N₂O₂ 
• 107-92-6 butyric acid 

Relevant articles and documents

Classical Carbonium Ions. Part 12. The Deamination of 1- and 4-Amino-n-octane

The deamination products of 1- and 4-amino-octane in acetic acid were examined.The amines were treated with sodium nitrite directly, and also converted into alkylaryltriazenes derived from several arenediazonium cations, which were then acetolysed.N-Nitrosobutyramides were acetolysed, and N-nitrosoacetamides were butyrolysed, to allow the seperate analysis of rearranged and unrearranged products from internal and external nucleophiles.It is concluded that the primary alkylamine is converted by all these different methods in high yield into a primary alkane diazonium ion RN2+, the properties of which are independent of its method of preparation in that the alkyl cation formed by its decomposition does not capture the leaving group which accompanies its formation, but reacts with solvent to give a constant set of products.The secondary alkylamine behaves differently.Its diazo-derivatives, RN2X, usually undergo effectively concerted decomposition to carbonium ions, nitrogen, and leaving group X.The cations show differing degrees of hydride shift, and capture the internal nucleophile X to a considerable but variable extent, after as well as before rearrangement.The acetolysis of 4-diazo-octane proceeds via a much less reactive intermediate, possibly an intimate ion-pair, giving mainly unrearranged 4-acetoxyoctane, plus an olefin mixture in which the substantial proportion of cis-isomers reflects the conformational preference of the starting material.