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Ethyl octanoate

Ethyl octanoate structure

CAS No:
106-32-1
Formula:
C10H20O2
Chemical Name:
Ethyl octanoate
Synonyms:
Octanoic acid,ethyl ester;Ethyl caprylate;Ethyl octanoate;Ethyl n-octanoate;Caprylic acid ethyl ester;Et caprylate;NSC 8898
Categories:
Cosmetic Ingredient > Perfuming

Description

Liquid

Liquid|Colourless liquid with a wine, brandy, fruity floral odour

Ethyl octanoate is a fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and an octanoate ester.

Ethyl octanoate Basic Attributes

Molecular Weight：

172.26

Exact Mass：

172.26

EC Number：

203-385-5

UNII：

81C5MOP582

NSC Number：

8898

DSSTox ID：

DTXSID8051542

HScode：

29159080

Characteristics

PSA：

26.3

XLogP3：

3.5

Appearance：

Clear colorless Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-43.1 °C

Boiling Point：

208.5 °C

Flash Point：

167 °F

Refractive Index：

1.423

Water Solubility：

H2O: insoluble ;ethanol: soluble 1ml/4ml, clear, colorless (70% ethanol)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.02 mm Hg ( 25 °C)

Explosive limit：

0.7%(V)

Safety Information

wgk germany：

hazard class code：

safety instructions：

26-36

RTECS Number：

RH0680000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P264, P280, P302+P352, P321, P332+P313, P362

Hazard Statements：

H315

GHS Classification：

Not Classified

Toxicity

Mobility：

1.05e+03 L/kg

Drug Information

MeSH Entry Terms：

ethyl caprylate

Ethyl octanoate Use and Manufacturing

Methods of Manufacturing

From ethanol and octanoic acid under sulfuric acid catalysis heating esterification and distillation.

Uses

manufacture of fruit ethers; constituent of enanthic, cocoic, and cognac ethers.

Manufacturing Info：

Octanoic 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:172.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

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ethyl caprylate 106-32-1

CAS No.: 106-32-1

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Guide of Ethyl octanoate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Ethyl octanoate

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