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Allyl heptanoate

Allyl heptanoate structure

CAS No:
142-19-8
Formula:
C10H18O2
Chemical Name:
Allyl heptanoate
Synonyms:
Heptanoic acid,2-propen-1-yl ester;Heptanoic acid,allyl ester;Heptanoic acid,2-propenyl ester;Allyl enanthate;Allyl heptanoate;Allyl heptoate;Allyl heptylate;2-Propenyl heptanoate;NSC 20969
Categories:
Cosmetic Ingredient > Perfuming

Description

2-Propenyl Heptanoate has been foundin, for example, wild edible mushrooms. It is used in perfume compositions forapple-like (pineapple) notes. A liquid with characteristic wine odor and a slight banana note and banana-like flavor CLEAR COLOURLESS LIQUID

Liquid

2-Propenyl heptanoate is a fatty acid ester.

Allyl heptanoate Basic Attributes

Molecular Weight：

170.25

Exact Mass：

170.25

BRN：

8544440

EC Number：

205-527-1

UNII：

AU4CYG9V68

NSC Number：

20969

DSSTox ID：

DTXSID3044754

HScode：

29159000

Characteristics

PSA：

26.3

XLogP3：

3.2

Appearance：

Liquid

Density：

0.885 g/mL at 25 °C(lit.)

Melting Point：

-66 °C

Boiling Point：

209-210 °C @ Press: 760 Torr

Flash Point：

180 °F

Refractive Index：

n 20/D 1.428(lit.)

Water Solubility：

INSOLUBLE

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.16mmHg at 25°C

Toxicity：

Oral-rat LD50: 500mg/kg; Oral-Mouse LD50: 630 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

21/22-20/21/22

safety instructions：

36/37

RTECS Number：

MJ1750000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

|Danger|H301 (10.39%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P310, P301+P312, P302+P352, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P405, and P501|Aggregated GHS information provided by 2473 companies from 40 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501|Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Toxicity

Toxicity class：

moderately

Allyl heptanoate Use and Manufacturing

Methods of Manufacturing

It is formed by the esterification of n-heptanoic acid and allyl alcohol in the presence of concentrated sulfuric acid.

Uses

GB 2760-1996 stipulates food flavors temporarily allowed to be used. Used for the preparation of daily chemical flavors and edible flavors; GB 2760-1996 stipulates as edible flavors temporarily allowed to be used.

Odor agents

Air care products

Production

100,000 - 500,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|Heptanoic acid, 2-propen-1-yl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:170.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Allyl heptanoate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Allyl heptanoate

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