65405-77-8

Basic information

• Product Name: CIS-3-HEXENYL SALICYLATE
• Synonyms: (3Z)-3-Hexenyl salicylate;2-hydroxy-,3-hexenylester,(z)-benzoicaci;2-hydroxy-,3-hexenylester,(Z)-Benzoicacid;3-hexenylsalicylate;Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-;beta,gamma-cis-Hexenyl salicylate;beta,gamma-cis-hexenylsalicylate;Salicylic acid, 3-hexen-1-yl ester
• CAS NO: 65405-77-8
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• EINECS: 265-745-8
• Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 65405-77-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 271 °C(lit.)
• Flash Point: >230 °F
• Appearance: Colorless to pale yellow liquid
• Density: 1.059 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000246mmHg at 25°C
• Refractive Index: n20/D 1.521(lit.)
• PKA: 8.12±0.30(Predicted)
• Water Solubility: 5mg/L at 20℃
• CAS DataBase Reference: CIS-3-HEXENYL SALICYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: CIS-3-HEXENYL SALICYLATE(65405-77-8)
• EPA Substance Registry System: CIS-3-HEXENYL SALICYLATE(65405-77-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 2
• RTECS: VO3500000
• Hazardous Substances Data: 65405-77-8(Hazardous Substances Data)

Usage

Chemical Properties

(Z)-3-Hexenyl salicyla has been identified in carnation flower absolute. It is a colorless liquid with a long-lasting, sweet, green balsamic odor.

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+

Upstream product

• 928-96-1 (Z)-3-Hexen-1-ol 
• 119-36-8 methyl salicylate 

Downstream Products

• 1436784-53-0 4-oxohexyl 2-hydroxybenzoate 

Relevant articles and documents

Process for producing salicylic esters

There is provided a noble process for producing a salicylic ester for perfumes which comprises the step of transesterifying a salicylic lower alkyl ester with an alcohol having at least one carbon atom which is located adjacent to a hydroxyl-bonded carbon atom and has one or more hydrogen atoms bonded thereto, in the presence of a tin-based catalyst. The process of the present invention enables the salicylic ester to be produced at a high yield and is free from handling problems such as precipitation of solids in a distillation residue obtained after the reaction, and the catalyst used therein is reusable.

Perfume compositions

A perfume composition contains at least 50% by weight of materials which fall into five categories defined by structure, and molecular weight. Amounts of material within each category fall within specified ranges of percentage of the whole composition. Two categories, ethers and salicylates, must be present. At least two of the remaining three categories, which are alcohols, acetate/propionate esters and methyl aryl ketones, must also be present. The compositions enable good levels of deodorant activity to be achieved along with consumer-acceptable fragrance.