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Propyl octanoate

Propyl octanoate structure

CAS No:
624-13-5
Formula:
C11H22O2
Chemical Name:
Propyl octanoate
Synonyms:
Octanoic acid,propyl ester;Propyl caprylate;Propyl octanoate;NSC 23736
Categories:
Cosmetic Ingredient > Perfuming

Description

ChEBI: An octanoate ester resulting from the formal condensation of the carboxy group of octanoic acid (caprylic acid) with the hydroxy group of propan-1-ol.

Propyl octanoate is an octanoate ester resulting from the formal condensation of the carboxy group of octanoic acid (caprylic acid) with the hydroxy group of propan-1-ol. It has a role as a metabolite.

Propyl octanoate Basic Attributes

Molecular Weight：

186.29100

Exact Mass：

186.29

EC Number：

210-830-7

UNII：

VU5LA9XGW7

NSC Number：

23736

DSSTox ID：

DTXSID9060782

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

3.30010

Appearance：

COLOURLESS LIQUID

Density：

0.8616 g/cm³ @ Temp: 25 °C

Melting Point：

-46.2 °C

Boiling Point：

226.4 °C

Flash Point：

87.9ºC

Refractive Index：

1.426

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Propyl octanoate Use and Manufacturing

Manufacturing Info：

Octanoic acid, propyl ester: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propyl octanoate

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

Propyl octanoate

SDS

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