78989-37-4

Basic information

• Product Name: ETHYL TRANS-4-OCTENOATE
• Synonyms: ethyl (E)-4-octenoate;ETHYL TRANS-4-OCTENOATE;ETHYL 4-OCTENOATE (TRANS);ethyl (E)-oct-4-enoate;4-OCTENOICACID,ETHYLESTER,(E)-;4-Octenoic acid, ethyl ester, (4E)-;(E)-4-Octenoic acid ethyl ester
• CAS NO: 78989-37-4
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• EINECS: 279-035-0
• Product Categories: Alphabetical Listings;E-F;Flavors and Fragrances
• Mol File: 78989-37-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 150 °C/11 mmHg(lit.)
• Flash Point: 79 °C
• Appearance: /
• Density: 0.878 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.411mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• CAS DataBase Reference: ETHYL TRANS-4-OCTENOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL TRANS-4-OCTENOATE(78989-37-4)
• EPA Substance Registry System: ETHYL TRANS-4-OCTENOATE(78989-37-4)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• Hazardous Substances Data: 78989-37-4(Hazardous Substances Data)

Usage

General Description

Ethyl trans-4-octenoate is an organic compound with the chemical formula C10H18O2. It is a clear colorless liquid with a sweet, fruity odor, and it is commonly used as a flavoring agent in the food and beverage industry. ETHYL TRANS-4-OCTENOATE is found naturally in fruits such as apples and grapes, as well as in wine. It is also used as a fragrance in perfumes and personal care products. Ethyl trans-4-octenoate is known for its strong fruity aroma, and it is often added to enhance the flavor and fragrance of various products. Additionally, it is a versatile compound that can be used in a wide range of applications due to its pleasant scent and taste.

InChI:InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+

Upstream product

• 4798-44-1 1-hexene-3-ol 
• 78-39-7 Triethyl orthoacetate 
• 1445-45-0 Trimethyl orthoacetate 

Downstream Products

• 18776-92-6 (E)-2-(pent-1-en-1-yl)benzoic acid 
• 31502-21-3 (E)-oct-4-en-1-ol 
• 212970-48-4 C₄₂H₅₅N₃O₈ 
• 212970-63-3 (2Z,6E,11Z)-2-Hexanoyl-8-oxo-pentadeca-2,6,11-trienoic acid 4-tert-butoxycarbonylamino-butyl ester 
• 212970-55-3 (2Z,6E,11E)-2-Hexanoyl-8-oxo-pentadeca-2,6,11-trienoic acid 4-tert-butoxycarbonylamino-butyl ester 

Relevant articles and documents

Synthesis of 5Z,9E-tridecadien-1-ylacetate, an attractant of Trichoplusia ni

A new synthetic scheme for 5Z,9E-tridecadien-1-ylacetate, an attractant of the cabbage looper Trichoplusia ni (Huebner) was developed using a highly stereoselective Claisen rearrangement.

Reagent-Controlled Asymmetric Iodolactonization Using Cinchona Alkaloids as Chiral Sources

A novel method for reagent-controlled asymmetric iodolactonization of 5-aryl-4-pentenoic acids is reported. This work uses carboxylate ion pairs combined with cinchona alkaloids as chiral sources of carboxylate anion for the first time leading to a mixture of two regio-isomeric iodolactones with moderate enantioselectivity (exo-18.5% ee, endo-35.0% ee) under mild reaction conditions.

Z/E-Isomerization of Unsaturated Carboxylic Acids during the Kolbe Electrolysis

Z-4-Enoic acids partially isomerize to E-configurated products in the Kolbe electrolysis.The results from methyl and deuterium labelled carboxylic acids 2 and 16 support an isomerization via a reversible ring closure to cyclopropylcarbinyl radicals.The double bonds of Z-N-enoic acids with N>/= 5 fully retain their configuration in the Kolbe electrolysis; for N=6,7 cyclic products are formed to some extent, which is in accord with the reactivity of 5- and 6-alkenyl radicals.