Allyl heptanoate

ChemicalBook > CAS DataBase List > 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
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

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View Lastest Price from Allyl heptanoate manufacturers

HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD

Product: Allyl heptanoate 142-19-8
Price: US $999.00-666.00/ton
Min. Order: 1ton
Purity: 99%
Supply Ability: 5000
Release date: 2024-08-09

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

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