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Hexyl octanoate

Hexyl octanoate structure

CAS No:
1117-55-1
Formula:
C14H28O2
Chemical Name:
Hexyl octanoate
Synonyms:
Octanoic acid,hexyl ester;Hexyl caprylate;Hexyl octanoate;n-Hexyl caprylate
Categories:
Cosmetic Ingredient > Perfuming

Description

Hexyl octanoate has a fresh vegetable, slightly fruity odor and a sweet, green, fruity taste ChEBI: An octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol.

Liquid|colorless liquid with a fresh vegetable, fruity odour

Hexyl octanoate is an octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol. It has a role as a plant metabolite. It derives from a hexan-1-ol.

Hexyl octanoate Basic Attributes

Molecular Weight：

228.37

Exact Mass：

228.37

EC Number：

214-247-9

UNII：

GU3S7YK802

DSSTox ID：

DTXSID8047636

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

4.47040

Density：

0.86 g/mL at 25 °C(lit.)

Melting Point：

-30.6 °C

Boiling Point：

277.4 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.431(lit.)

Water Solubility：

soluble in alcohol; insoluble in water

Vapor Pressure：

0.00532mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

RH0763500

Hexyl octanoate Use and Manufacturing

Methods of Manufacturing

It is derived from direct esterification of n-hexanol and caprylic acid.

Uses

Spices for food.

Manufacturing Info：

Octanoic acid, hexyl 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:228.37
XLogP3:5.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:228.208930132
Monoisotopic Mass:228.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexyl octanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Hexyl octanoate

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