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Ethyl heptanoate

Ethyl heptanoate structure

CAS No:
106-30-9
Formula:
C9H18O2
Chemical Name:
Ethyl heptanoate
Synonyms:
Heptanoic acid,ethyl ester;Enanthic acid,ethyl ester;Cognac oil;Enanthylic ether;Ethyl enanthate;Ethyl heptanoate;Ethyl heptoate;Ethyl heptylate;Ethyl oenanthate;Ethyl oenanthylate;Oenanthic ether;Ethyl n-heptanoate;NSC 8891
Categories:
Cosmetic Ingredient > Perfuming

Description

Ethyl heptanoate has a fruity odor reminiscent of cognac with a corresponding taste. It has been also reported to have a winy-brandy odor clear colorless liquid Ethyl Heptanoate is a colorless liquid with a fruity odor reminiscent of cognac. It is found in fruits and alcoholic beverages and is used in appropriate aroma compositions.ChEBI: The fatty acid ethyl ester of heptanoic acid.Ethyl heptanoate has a fruity odor reminiscent of cognac with a corresponding taste. It is also reported w

Liquid|Colourless liquid with a wine, brandy-like odour

Ethyl heptanoate is the fatty acid ethyl ester of heptanoic acid. It has a role as a metabolite. It derives from a heptanoic acid.

Ethyl heptanoate Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

BRN：

1752311

EC Number：

203-382-9

UNII：

45R404Y5X8

NSC Number：

8891

DSSTox ID：

DTXSID1040112

HScode：

29159080

Characteristics

PSA：

26.3

XLogP3：

2.9

Appearance：

Liquid

Density：

0.7775 g/cm³ @ Temp: 20 °C

Melting Point：

-66.1 °C

Boiling Point：

187 °C

Flash Point：

151 °F

Refractive Index：

n 20/D 1.412(lit.)

Water Solubility：

0.29 mg/mL

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.68 mmHg

Toxicity：

LD50 orally in rats: >34640 mg/kg (Jenner)

Henrys Law Constant：

4.99e-04 atm-m3/mole

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 1993 / PGIII

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

37/39-26-24/25

RTECS Number：

MJ2087000

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H226 (97.19%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1663 companies from 4 notifications to the ECHA C&L Inventory.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Mobility：

407.38 L/kg

Drug Information

MeSH Entry Terms：

ethyl heptanoate

Ethyl heptanoate Use and Manufacturing

Methods of Manufacturing

It is directly esterified from heptanoic acid and ethanol, and the reaction mixture is washed with water and fractionated to obtain the product. CH3(CH2)5COOH+CH3CH2OH[H2SO4]→CH3(CH2)5COOCH2CH3+H2O

Uses

In the manufacture of liqueurs.Plays an important part in the formulation of raspberry, gooseberry, grape, cherry, apricot, currant, bourbon, and other artificial essences.

Air care products

Production

< 25,000 lb

Manufacturing Info：

Heptanoic acid, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.24
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:99.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

n-Pentane

Ethyl acrylate

Ethanol

Downstream Products

Ethanol

Recommended Suppliers of Ethyl heptanoate

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Ethyl heptanoate

CAS No.: 106-30-9

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Ethyl Heptanoate Factory Supply Safe Delivery C9H18O2 99.9%

Unit Price: $2 /MT FOB

CAS No.: 106-30-9

Grade: Food Grade

Content: 99.9%

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CAS No.: 106-30-9

Grade: Pharmaceutical Grade

Content: 99.5%

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CAS No.: 106-30-9

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Guide of Ethyl heptanoate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

Ethyl heptanoate

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