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Butyl octanoate

Butyl octanoate structure

CAS No:
589-75-3
Formula:
C12H24O2
Chemical Name:
Butyl octanoate
Synonyms:
Octanoic acid,butyl ester;Butyl caprylate;Butyl octanoate;n-Butyl octanoate;NSC 23740
Categories:
Cosmetic Ingredient > Perfuming

Description

ChEBI: An octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol.

Butyl octanoate is an octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol. It has a role as a metabolite. It derives from a butan-1-ol.

Butyl octanoate Basic Attributes

Molecular Weight：

200.31800

Exact Mass：

200.32

EC Number：

209-659-0

UNII：

4I64Y9N2WO

NSC Number：

23740

DSSTox ID：

DTXSID0060432

Characteristics

PSA：

26.30000

XLogP3：

3.69020

Density：

0.8786 g/cm³ @ Temp: 0 °C

Melting Point：

-42.9 °C

Boiling Point：

240.5 °C

Flash Point：

124 °C

Refractive Index：

1.429

Storage Conditions：

-20ºC

Safety Information

hazard class code：

36/37/38

safety instructions：

S26-S36

Marks：

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

butyl caproate

Butyl octanoate Use and Manufacturing

Manufacturing Info：

Octanoic acid, butyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:200.32
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 589-75-3

Grade: Pharmaceutical Grade

Content: 99%

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Guide of Butyl octanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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