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p-tolyl octanoate

CAS 59558-23-5C15H22O2MW 234.16 g/mol

p-tolyl octanoate (CAS 59558-23-5) — formula C15H22O2, molecular weight 234.16 g/mol; category organic chemicals.

Product Overview

CAS Number59558-23-5
Molecular FormulaC15H22O2
Molecular Weight234.16 g/mol
Boiling Point265 °C
LogP5
CategoryOrganic Chemicals

Technical Profile

What this product is

p-tolyl octanoate is a carbon-based organic compound with CAS registry number 59558-23-5 and molecular formula C15H22O2 (molecular weight 234.16 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 59558-23-5

Its molecular formula C15H22O2 comprises 15 C, 22 H, 2 O atoms.

Also known as: p-tolyl octanoate · 正辛酸对甲苯酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of p-tolyl octanoate?

The CAS registry number of p-tolyl octanoate is 59558-23-5.

What is the molecular formula and molecular weight of p-tolyl octanoate?

Molecular formula C15H22O2, molecular weight 234.16 g/mol.

What other names is p-tolyl octanoate known by?

It is also registered under: p-tolyl octanoate, 正辛酸对甲苯酯.

Which category does p-tolyl octanoate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for p-tolyl octanoate (CAS 59558-23-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number59558-23-5
PubChem CID43046
Molecular formulaC15H22O2
Molecular weight234.16 g/mol
IUPAC name(4-methylphenyl) octanoate
InChIKeyALRYNTSLFYRKGF-UHFFFAOYSA-N
UNII (FDA)065NCY25ZE
ChEBI IDCHEBI:196146
FEMA number3733
JECFA number703

Computed descriptors

Molecular Weight234.33
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area26.3
Heavy Atom Count17

Physicochemical values on record

Boiling Point265 °C
Density0.952-0.960
Refractive Index1.478-1.488

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    p-Tolyl octanoate; p-Cresyl octanoate; 4-Methylphenyl octanoate; p-Tolyl n-octanoate; p-Cresyl caprylate; n-Octanoic acid p-tolyl ester; Narcissin K; Octanoic acid, 4-methylphenyl ester; para-Tolyl octanoate; Methylphenyl octanoate, p-; Tolyl octanoate, P-; Cresyl octanoate, p-; FEMA No. 3733; EINECS 261-803-1; p-Cresyl capryrate; UNII-065NCY25ZE

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Savory
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH302 (100%)

    H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

    P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

    What the public record says

    p-tolyl octanoate is identified by CAS 59558-23-5, molecular formula C15H22O2 and molecular weight 234.16 g/mol. UNII 065NCY25ZE; ChEBI 196146; InChIKey ALRYNTSLFYRKGF-UHFFFAOYSA-N. Boiling Point: 265 °C; Density: 0.952-0.960; Refractive Index: 1.478-1.488.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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