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4-Methylphenyl octanoate

4-Methylphenyl octanoate structure

CAS No:
59558-23-5
Formula:
C15H22O2
Chemical Name:
4-Methylphenyl octanoate
Synonyms:
Octanoic acid,4-methylphenyl ester;Octanoic acid,p-tolyl ester;Caprylic acid,p-tolyl ester;4-Methylphenyl octanoate;p-Cresyl octanoate;p-Cresyl caprylate;NSC 24727;p-Cresyl n-octanoate;(4-Methylphenyl) octanoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colourless oily liquid

4-Methylphenyl octanoate Basic Attributes

Molecular Weight：

234.33400

Exact Mass：

234.33

EC Number：

261-803-1

UNII：

065NCY25ZE

NSC Number：

24727

DSSTox ID：

DTXSID9052262

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

4.26090

Density：

0.957 g/cm³ @ Temp: 25 °C

Boiling Point：

163-165 °C @ Press: 10 Torr

Flash Point：

168ºC

Refractive Index：

1.491

Water Solubility：

insoluble in water; soluble in oils|miscible (in ethanol)

Safety Information

RTECS Number：

RH0787500

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1601 companies from 2 notifications to the ECHA C&L Inventory.

4-Methylphenyl octanoate Use and Manufacturing

Manufacturing Info：

Octanoic acid, 4-methylphenyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:234.33
XLogP3:5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:234.161979940
Monoisotopic Mass:234.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methylphenyl octanoate

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

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