ChemicalBook
Chinese Japanese Germany

Allyl hexanoate

Chemical Properties Content Analysis Toxicity Use limits Uses Production method Hazards & Safety Information
Allyl hexanoate
Allyl hexanoate
CAS No.
123-68-2
Chemical Name:
Allyl hexanoate
Synonyms
allyle;FEMA 2032;Allylhexylate;ALLYLCAPRONAT;Allylhexanoat;allylecaproate;ALLYL CAPROATE;Allylcapronate;ALLYL HEXANOATE;ALLYLN-CAPROATE
CBNumber:
CB9205910
Molecular Formula:
C9H16O2
Formula Weight:
156.22
MOL File:
123-68-2.mol

Allyl hexanoate Properties

Melting point:
-57.45°C (estimate)
Boiling point:
75-76 °C15 mm Hg(lit.)
Density 
0.887 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.424(lit.)
FEMA 
2032 | ALLYL HEXANOATE
Flash point:
151 °F
storage temp. 
Store below +30°C.
solubility 
0.06g/l
Water Solubility 
PRACTICALLY INSOLUBLE
CAS DataBase Reference
123-68-2(CAS DataBase Reference)
NIST Chemistry Reference
Hexanoic acid, 2-propenyl ester(123-68-2)
EPA Substance Registry System
Hexanoic acid, 2-propenyl ester(123-68-2)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
Hazard Codes  T,N
Risk Statements  22-24-51/53-R51/53-R24-R22
Safety Statements  36/37-45-61-S61-S45-S36/37
RIDADR  UN 2810 6.1/PG 3
WGK Germany  2
RTECS  MO6125000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29159080
Symbol(GHS):
Signal word: Danger
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H227 Combustible liquid Flammable liquids Category 4 Warning P210, P280, P370+P378, P403+P235,P501
H411 Toxic to aquatic life with long lasting effects Hazardous to the aquatic environment, long-term hazard Category 2
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264 Wash hands thoroughly after handling.
P264 Wash skin thouroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P273 Avoid release to the environment.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P312 Call a POISON CENTER or doctor/physician if you feel unwell.
P391 Collect spillage. Hazardous to the aquatic environment
P370+P378 In case of fire: Use … for extinction.
P405 Store locked up.
P403+P235 Store in a well-ventilated place. Keep cool.
P501 Dispose of contents/container to..…

Allyl hexanoate price More Price(14)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 41894 Allyl hexanoate analytical standard 123-68-2 1ml $54.4 2017-11-08 Buy
Sigma-Aldrich 41894 Allyl hexanoate analytical standard 123-68-2 5ml $222.5 2017-11-08 Buy
TCI Chemical A2179 Allyl Hexanoate >98.0%(GC) 123-68-2 25mL $21 2017-11-08 Buy
TCI Chemical A2179 Allyl Hexanoate >98.0%(GC) 123-68-2 500mL $92 2017-11-08 Buy
Sigma-Aldrich 8.14990 Allyl hexanoate 123-68-2 1EA $92 2017-11-08 Buy

Allyl hexanoate Chemical Properties,Uses,Production

Chemical Properties

Colorless to pale yellow liquid; pineapple aroma; Soluble in organic solvents; insoluble in water.

Content Analysis

Accurately weigh 1g of samples and analyze its content according to ester determination (OT-18). The equivalent factor (e) in the calculation is taken as 78.12.

Toxicity

LD50 218 mg/kg (rat, oral).
ADI 0~0.13 mg/kg (FAO/WHO, 1994).

Use limits

FEMA (mg/kg): soft drinks 7.0; cold drinks 11.0; candy 32; baked food 25; pudding class 22;

Uses

1. Allyl hexanoate is Used for the preparation of pineapple and other fruit flavors.
2. China provides that allyl hexanoate is the spices temporally allowed to use, which is commonly used in the modulation of food spices and tobacco spices with the flavor of strawberry, apricot, peach, sweet orange, pineapple, apple and other fruit. The use amount of allyl hexanoate is according to the normal production needs, such as 210 mg/kg in chewing gum, 32mg/kg in confectionery, 25 mg/kg in baked goods and 11 mg/kg in cold drinks.
3. GB 2760--1996 provides that allyl hexanoate is the food spices temporally allowed to use, which is mainly used in the preparation of pineapple, apple and other fruit spices.
4. China provides that allyl hexanoate is the spices temporally allowed to use, which is commonly used in the modulation of food spices and tobacco spices with the flavor of strawberry, apricot, peach, sweet orange, pineapple, apple and other fruit. The use amount of allyl hexanoate is according to the normal production needs, such as 210 mg/kg in chewing gum, 32mg/kg in confectionery, 25 mg/kg in baked goods and 11 mg/kg in cold drinks.
5. Widely used in the preparation of food flavors, spices, tobacco flavors and pineapple and other fruit flavors, and also used as an organic synthesis of intermediates.

Production method

Production method 1
Hexanoic acid and allyl alcohol directly perform esterification in catalysis of sulfuric acid, and then the prepared esters are neutralized, washed and distillated to obtain the finished products.
Production method 2
(1) solid acid catalytic method. Add 23.2 g (0.4 mol) of propenol, 23.2 g (0.2 mol) of hexanoic acid, 0.1 g of hydroquinone, 3.0 g of solid super TiO2/SO4-2 and 30 mL of toluene into a 150 mL flask. Heat for reflux for 1.5h and the generated water were taken out by the azeotropic agent toluene. The reaction solution was cooled and filtered, and the solid acid could be repeatedly used after being dried. Add 0.1g of cuprous chloride in the filtrate, and then distillate them to collect the fraction of 186-188 ° C. The obtained finished products was 27.1g with a yield of 86.9%, and the refractive index n20d was 1.4241.
(2) sulfuric acid catalytic method. Firstly, hexanoic acid and allyl alcohol performed esterification in catalysis of sulfuric acid. After the end of the reaction, the above esters were washed with water and then were neutralized with 15% Na2CO3 solution and washed with water to neutral. Add anhydrous sodium carbonate or anhydrous calcium chloride for dehydration. Finally, the finished products were obtained by further filtration and vacuum distillation.
Production method 3
Secondary octanol were oxidized by nitric acid to generate various organic acids based on hexanoic acid and heptanoic acid. The above acids mixture were then fractionated to obtain n-caproic acid, which then performed esterification with allyl alcohol in the presence of concentrated sulfuric acid. The reaction products were then dehydrated with benzene, washed and fractionated to obtain the finished allyl hexanoate.
Production method 4
(1) solid acid catalytic method. Add 23.2 g (0.4 mol) of propenol, 23.2 g (0.2 mol) of hexanoic acid, 0.1 g of hydroquinone, 3.0 g of solid super TiO2/SO4-2 and 30 mL of toluene into a 150 mL flask. Heat for reflux for 1.5h and the generated water were taken out with the azeotropic agent toluene. The reaction solution was cooled and filtered, and the solid acid could be repeatedly used after being dried. Add 0.1g of cuprous chloride in the filtrate, and then distillate to collect the fraction of 186-188 ° C. The obtained finished products was 27.1g with a yield of 86.9%, and the refractive index n20d was 1.4241.
(2) sulfuric acid catalytic method. Firstly, hexanoic acid and allyl alcohol performed esterification in catalysis of sulfuric acid. After the end of the reaction, the above esters were washed with water and then were neutralized with 15% Na2CO3 solution and washed with water to neutral. Add anhydrous sodium carbonate or anhydrous calcium chloride for dehydration. Finally, the finished products were obtained by further filtration and vacuum distillation.

Hazards & Safety Information

Category  Toxic substances
Toxicity classification high toxicity
Acute toxicity peritoneal-rat LD50: 218 mg/kg; Oral-guinea pig LD50: 280 mg/kg
Stimulation Data Skin-human 20 mg/48 h mild
Flammability Hazardous characteristics
Flammable; Combustion produces irritating fumes
Storage and transportation characteristics
Stored in the low-temperature, well-ventilated and dry warehouse; stored separately with food raw materials
Fire extinguishing agent
dry powder, foam, sand, carbon dioxide, mist water

Chemical Properties

CLEAR COLOURLESS LIQUID

Allyl hexanoate Preparation Products And Raw materials

Raw materials

Preparation Products


Allyl hexanoate Suppliers

Global( 160)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Henan DaKen Chemical CO.,LTD.
+86-371-55531817
inquiry@dakenchem.com CHINA 22128 58
Henan Tianfu Chemical Co.,Ltd.
0371-55170693
0371-55170693 info@tianfuchem.com CHINA 20795 55
Mainchem Co., Ltd.
+86-0592-6210733
+86-0592-6210733 sales@mainchem.com CHINA 32764 55
career henan chemical co
+86-371-86658258
sales@coreychem.com CHINA 10011 58
J & K SCIENTIFIC LTD. 400-666-7788 +86-10-82848833
+86-10-82849933 jkinfo@jkchemical.com;market6@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. +86-(0)21-61259100(Shanghai) +86-(0)755-86170099(ShenZhen) +86-(0)10-62670440(Beijing)
+86-(0)21-61259102(Shanghai) +86-(0)755-86170066(ShenZhen) +86-(0)10-88580358(Beijing) sh@meryer.com China 40399 62
TCI (Shanghai) Development Co., Ltd. 021-67121386 / 800-988-0390
021-67121385 Sales-CN@TCIchemicals.com China 24654 81
Beijing dtftchem Technology Co., Ltd. 13651141086; 86(10)60275028、60275820
86 (10) 60270825 dtftchem@sina.com China 1443 62
Energy Chemical 021-58432009 / 400-005-6266
021-58436166-800 info@energy-chemical.com China 44192 61
JinYan Chemicals(ShangHai) Co.,Ltd. 13817811078,021-50426030
86-021-50426522,50426273 sales@jingyan-chemical.com China 10088 60

View Lastest Price from Allyl hexanoate manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2018-07-23 Allyl hexanoate
123-68-2
US $2700.00 / KG 1KG 98% 100tons

123-68-2(Allyl hexanoate)Related Search:


Copyright 2017 © ChemicalBook. All rights reserved