Allyl caproate
Synonyms
Allyl hexanoate;
Hexanoic acid, 2-propen-1-yl ester;
Hexanoic acid, 2-propenyl ester;
Hexanoic acid, allyl ester;
Pineapple aldehyde;
FEMA No. 2032;
Category
Non-ionic surfactant
> Ester
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>>> Monohydric Alcohol Monoprotic Acid Ester
>>>> Linear Alkenyl Alcohol Linear Alkanoic Acid Ester
Chemical Numbering System
CAS: 123-68-2
EINECS: 204-642-4
Molecular Formula & Molecular Weight
Molecular Formula: C9H16O2
Molecular Weight: 156.22
Structure
Properties
Appearance (1), colorless to pale yellow liquid.
Odor pineapple aroma.
Solubility slightly soluble in water.
Stability stable. Under strong acid or strong alkali condition, easily hydrolyzed. Easily oxidized.
Risk Liquid form: flammable material; irritation, irritation to skin, eye, respiratory system. Harmful products of combustion are CO, CO2 and so on. Contact with strong oxidants, can cause to burn.
GHS label: 
Animal Toxicity
Table 1 Animal toxicity values
|
guinea pig oral LD50 |
280mg/kg[1] |
|
rabbit skin LD50 |
300mg/kg[1] |
|
rat oral LD50 |
218mg/kg[1] |
Ecology may be hazardous to environment. Water body should be given special attention.
Biodegradability biodegradable.
Characteristics excellent masking, dispersing, solubilizing, cleansing abilities.
Synthesis
Quality Standards & Test Methods
1, Physical and chemical indexes
|
Item |
Physical and chemical indexes |
|
Liquid |
|
|
Actives, %, ≥ |
95.0 |
Test Methods
(1), Actives
GB/T 13173 Surface active agents -- Detergents -- Testing methods
2, Hazardous substances indexes
|
Item |
Hazardous substances indexes |
|
Liquid |
|
|
Heavy metals (as Pb), mg/kg, ≤ |
20 |
|
As, mg/kg, ≤ |
3 |
Test Methods
(1), Heavy metals (as Pb)
Safety and Technical Standards for Cosmetics (2015 Edition)
GB/T 30799 The test method of food detergents -- Determination of heavy metals
(2), As
Safety and Technical Standards for Cosmetics (2015 Edition)
GB/T 30797 The test method of food detergents -- Determination of total arsenic
3, Product standards
(1), Chinese standards
(1a), GB 1886.132 Food safety national standard -- Food additive -- Allyl hexanoate
(1b), QB/T 2519 Allyl hexanoate
4, Further explanation
(a), On physical and chemical indexes: firstly, shall be indicated carbon atom distribution; secondly, shall be indicated average molecular weight.
(b), Used in cosmetics, should be test for harmful substances or furtherly test for microorganisms, according to local regulations and standards.
Major Uses
1, Typical applications
Use as perfume.
Use as monomer.
2, Personal care products
Perfume, masking agent, emollient, astringent in personal care products.
Further information:
(1), In accordance with EU regulations (EC) No 344/2013, be included in Annex III/140.
Content of free allyl alcohol in the ester should be less than 0.1%.
3, Food
Use as food additive (perfume).
Manufacturers
References
[1]: ChemIDplus. 123-68-2, Allyl caproate
Update: 20141024(1); 20200607(2);