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Isopropyl octanoate

Isopropyl octanoate structure

CAS No:
5458-59-3
Formula:
C11H22O2
Chemical Name:
Isopropyl octanoate
Synonyms:
Octanoic acid,1-methylethyl ester;Octanoic acid,isopropyl ester;Isopropyl octanoate;Isopropyl caprylate;NSC 23737;n-Octanoic acid isopropyl ester;1-Methylethyl octanoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Isopropyl octanoate is a fatty acid ester.

Isopropyl octanoate Basic Attributes

Molecular Weight：

186.29100

Exact Mass：

186.29

EC Number：

226-721-2

UNII：

GHK5I7U9ZD

NSC Number：

23737

DSSTox ID：

DTXSID30203007

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

3.29850

Density：

0.87g/cm3

Melting Point：

-46.2°C (estimate)

Boiling Point：

93.8 °C

Flash Point：

82.9ºC

Refractive Index：

1.425

Vapor Pressure：

0.11 mmHg

Isopropyl octanoate Use and Manufacturing

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5458-59-3

Grade: Pharmaceutical Grade

Content: 99%

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Guide of Isopropyl octanoate

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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Isopropyl octanoate

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