ChemicalBook > CAS DataBase List > Allyl heptanoate

Allyl heptanoate

Product Name
Allyl heptanoate
CAS No.
142-19-8
Chemical Name
Allyl heptanoate
Synonyms
ALLYL HEPTOATE;ALLYL HEPTYLATE;FEMA 2031;Allyl Oenanthate;2-PROPENYL HEPTANOATE;ALLYLHEPTAT;Allylheptanoat;ALLYL ENANTHATE;ALLYL HEPTANOATE;Allyl-n-heptoate
CBNumber
CB2366829
Molecular Formula
C10H18O2
Formula Weight
170.25
MOL File
142-19-8.mol
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Allyl heptanoate Property

Melting point:
-66 °C
Boiling point:
210 °C
Density 
0.885 g/mL at 25 °C(lit.)
vapor pressure 
30.3Pa at 25℃
FEMA 
2031 | ALLYL HEPTANOATE
refractive index 
n20/D 1.428(lit.)
Flash point:
180 °F
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
soluble in Methanol
form 
clear liquid
color 
A colourless liquid.
Odor
at 100.00 %. sweet pineapple fruity waxy banana fusel cognac
Odor Type
fruity
biological source
synthetic
Water Solubility 
INSOLUBLE
JECFA Number
4
BRN 
8544440
InChIKey
SJWKGDGUQTWDRV-UHFFFAOYSA-N
LogP
3.97 at 20℃
CAS DataBase Reference
142-19-8(CAS DataBase Reference)
NIST Chemistry Reference
Allyl heptanoate(142-19-8)
EPA Substance Registry System
Allyl heptanoate (142-19-8)
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Safety

Hazard Codes 
Xn
Risk Statements 
21/22-20/21/22
Safety Statements 
36/37
RIDADR 
UN 2810 6.1/PG 3
WGK Germany 
3
RTECS 
MJ1750000
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
III
HS Code 
29159000
Toxicity
guinea pig,LD50,oral,444mg/kg (444mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W203111
Product name
Allyl heptanoate
Purity
natural, 98%, FG
Packaging
100g
Price
$89.8
Updated
2024/03/01
Sigma-Aldrich
Product number
W203111
Product name
Allyl heptanoate
Purity
natural, 98%, FG
Packaging
1kg
Price
$230
Updated
2024/03/01
Sigma-Aldrich
Product number
W203111
Product name
Allyl heptanoate
Purity
natural, 98%, FG
Packaging
10Kg
Price
$1090
Updated
2024/03/01
Sigma-Aldrich
Product number
W203106
Product name
Allyl heptanoate
Purity
≥97%, FCC, FG
Packaging
sample-k
Price
$59.8
Updated
2024/03/01
Sigma-Aldrich
Product number
W203106
Product name
Allyl heptanoate
Purity
≥97%, FCC, FG
Packaging
1kg
Price
$82.6
Updated
2024/03/01
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Allyl heptanoate Chemical Properties,Usage,Production

Chemical Properties

Allyl heptanoate is a clear colourless liquid with characteristic wine odor and a slight banana note and banana-like flavor. It has been found in wild edible mushrooms. It is used in perfume compositions for apple-like (pineapple) notes. Insoluble in water, miscible with essential oils and perfume materials, poorly soluble in Propylene glycol. B.P. 210℃. Sp.Gr. 0.890,

Occurrence

Has apparently not been reported to occur in nature.

Uses

Allyl heptanoate was one of the first to be Flavor and Extract Manufacturers Association-registered GRAS (generally recognized as safe). It can be used as part of ester complexes, primarily in fruit flavors like apple, pineapple, pear, plum, banana, fruit punch, and tropicals such as kiwi, papaya and mango. It can also play an important role in the fruity notes of aged cheeses, especially Parmesan, Asiago and grana padano.

Definition

ChEBI: Allyl heptanoate is a fatty acid ester.

Preparation

Allyl heptanoate is manufactured by direct esterification of allyl alcohol with heptanoic acid in the presence of concentrated sulfuric acid.

Taste threshold values

Taste characteristics at 10 ppm: fruity, pineapple-like with waxy tropical nuance

Toxicity evaluation

The acute oral LD50 values in rats, mice and guinea-pigs were reported as 500, 630 and 444 mg/kg, respectively (Hagan, Jenner, Jones, Fitzhugh, Long, Brouwer & Webb, 1965). The acute dermal LD50 value in rabbits was reported as 0.81 g/kg .(0.44-1.18 g/kg) (Moreno, 1974). Administration of 165 mg/kg by stomach tube daily for 4 days caused death in one of the six rats. Macroscopic liver lesions were observed in all animals; the livers were yellow in colour and approximately half of the hepatic tissue was necrotic(Taylor, Jenner & Jones, 1964).

General Description

Allyl heptanoate is a flavor and fragrance ingredient that may be present in karanda fruit. It has a fruity-pineapple, banana odour with mango and honey notes. It is widely used in tropical fruit composition; for perfumery applications the recommended usage level is up to 2%.

Biochem/physiol Actions

Taste at 5-10ppm

Safety Profile

Moderately toxic by ingestion and skin contact. A human skin irritant. See also ALL= COMPOUNDS and ESTERS. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

Metabolism

The hydrolysis of ester linkages in foreign compounds may be catalysed by many different esterases; most of these have a low degree of substrate specificity and they are to be found in all animals and bacteria(Parke, 1968). In the rat, allyl acetate and allyl alcohol are metabolized to 3-hydroxypropylmercapturic acid, which is excreted in the urine(Clapp, Kaye & Young, 1969). Heptanoic acid, like other odd-carbon fatty acids, is converted to glycogen with little or no formation of ketone bodies. The mechanism probably involves β-oxidation with formation of two acetic acid molecules plus one propionic acid molecule(Deuel, 1957).

Allyl heptanoate Preparation Products And Raw materials

Raw materials

Heptanoic acid Allyl alcohol

Preparation Products

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Allyl heptanoate Suppliers

Americas 1 Australia 1 Belgium 1 Canada 1 China 243 Europe 4 France 3 Germany 8 India 31 Italy 2 Japan 5 Mexico 1 Singapore 3 South Africa 1 South Korea 1 Spain 2 Switzerland 2 United Kingdom 12 United States 63 USA 1 Global 386
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View Lastest Price from Allyl heptanoate manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Heptanoic acid, 2-propen-1-yl ester 142-19-8
Price
US $80.00/kg
Min. Order
1kg
Purity
99
Supply Ability
5000
Release date
2024-06-03
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Allyl heptanoate 142-19-8
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-05-30
Hebei Mujin Biotechnology Co.,Ltd
Product
Allyl heptanoate 142-19-8
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-08-25

142-19-8, Allyl heptanoateRelated Search:

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  • Heptanoic acid, 2-propen-1-yl ester
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  • Flavors and Fragrances