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2-phenylethyl caprylate

CAS 5457-70-5C16H24O2MW 248.36

2-phenylethyl caprylate (CAS 5457-70-5) — formula C16H24O2, molecular weight 248.36; category organic chemicals.

Product Overview

CAS Number5457-70-5
Molecular FormulaC16H24O2
Molecular Weight248.36
Boiling Point295.00 to 296.00 °C. @ 760.00 mm Hg
LogP5.1
CategoryOrganic Chemicals

Technical Profile

What this product is

2-phenylethyl caprylate is a carbon-based organic compound with CAS registry number 5457-70-5 and molecular formula C16H24O2 (molecular weight 248.36), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 5457-70-5

Its molecular formula C16H24O2 comprises 16 C, 24 H, 2 O atoms.

Also known as: 2-phenylethyl caprylate · 辛酸苯乙酯 · Phenethyl octanoate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-phenylethyl caprylate?

The CAS registry number of 2-phenylethyl caprylate is 5457-70-5.

What is the molecular formula and molecular weight of 2-phenylethyl caprylate?

Molecular formula C16H24O2, molecular weight 248.36.

What other names is 2-phenylethyl caprylate known by?

It is also registered under: 2-phenylethyl caprylate, 辛酸苯乙酯, Phenethyl octanoate.

Which category does 2-phenylethyl caprylate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-phenylethyl caprylate (CAS 5457-70-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5457-70-5
PubChem CID229888
Molecular formulaC16H24O2
Molecular weight248.18 g/mol
IUPAC name2-phenylethyl octanoate
InChIKeyASETYIALRXDVDF-UHFFFAOYSA-N
UNII (FDA)89J4RI53EZ
ChEBI IDCHEBI:171699
FEMA number3222
JECFA number996

Computed descriptors

Molecular Weight248.36
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass248.177630004
Monoisotopic Mass248.177630004
Topological Polar Surface Area26.3
Heavy Atom Count18

Physicochemical values on record

Boiling Point295.00 to 296.00 °C. @ 760.00 mm Hg
Boiling Point295.5 °C; 143.5 °C (1.5 mm Hg)
Density0.973-0.977 (20 °C)
Refractive Index1.479-1.486

Documented uses on record

    Flavoring Agents -> JECFA Flavorings IndexFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    Phenethyl octanoate; 2-Phenylethyl octanoate; Phenylethyl octanoate; 2-Phenethyl octanoate; Octanoic acid, phenethyl ester; Octanoic acid, 2-phenylethyl ester; Phenethyl caprylate; Phenylethyl caprylate; Phenylethyl n-octanoate; FEMA No. 3222; UNII-89J4RI53EZ; 89J4RI53EZ; EINECS 226-718-6; NSC 23950; NSC-23950; 2-Phenylethyl-n-octanoate

    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
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary100% (94 / 94)

    GHS hazard classification

    GHS notification summary100% (94 / 94)

    This chemical does not meet GHS hazard criteria for 100% (94 of 94) of all reports.

    Reported as not meeting GHS hazard criteria by 94 of 94 companies. For more detailed information, please visit ECHA C&L website.

    What the public record says

    Phenethyl octanoate is identified by CAS 5457-70-5, molecular formula C16H24O2 and molecular weight 248.18 g/mol. UNII 89J4RI53EZ; ChEBI 171699; InChIKey ASETYIALRXDVDF-UHFFFAOYSA-N. Boiling Point: 295.00 to 296.00 °C. @ 760.00 mm Hg; Boiling Point: 295.5 °C; 143.5 °C (1.5 mm Hg); Density: 0.973-0.977 (20 °C).

    Physical description and handling notes

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 辛酸苯乙酯

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