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3-phenylpropyl propionate

CAS 122-74-7C12H16O2MW 192.12 g/mol

3-phenylpropyl propionate (CAS 122-74-7) — formula C12H16O2, molecular weight 192.12 g/mol; category organic chemicals.

Product Overview

CAS Number122-74-7
Molecular FormulaC12H16O2
Molecular Weight192.12 g/mol
Boiling Point279.00 to 280.00 °C. @ 760.00 mm Hg
LogP3
CategoryOrganic Chemicals

Technical Profile

What this product is

3-phenylpropyl propionate is a carbon-based organic compound with CAS registry number 122-74-7 and molecular formula C12H16O2 (molecular weight 192.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 122-74-7

Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.

Also known as: 3-phenylpropyl propionate · 苯丙醇丙酸盐

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3-phenylpropyl propionate?

The CAS registry number of 3-phenylpropyl propionate is 122-74-7.

What is the molecular formula and molecular weight of 3-phenylpropyl propionate?

Molecular formula C12H16O2, molecular weight 192.12 g/mol.

What other names is 3-phenylpropyl propionate known by?

It is also registered under: 3-phenylpropyl propionate, 苯丙醇丙酸盐.

Which category does 3-phenylpropyl propionate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 3-phenylpropyl propionate (CAS 122-74-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number122-74-7
PubChem CID61052
Molecular formulaC12H16O2
Molecular weight192.12 g/mol
IUPAC name3-phenylpropyl propanoate
InChIKeyGTNCESCYZPMXCJ-UHFFFAOYSA-N
UNII (FDA)C4756E9F55
ChEBI IDCHEBI:179906
FEMA number2897
JECFA number639

Computed descriptors

Molecular Weight192.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass192.115029749
Monoisotopic Mass192.115029749
Topological Polar Surface Area26.3
Heavy Atom Count14

Physicochemical values on record

Boiling Point279.00 to 280.00 °C. @ 760.00 mm Hg
Boiling Point265 °C
Density0.995-1.005
Refractive Index1.488-1.495

Documented uses on record

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

    Synonyms and trade names

    3-Phenylpropyl propanoate; 3-Phenylpropyl propionate; 122-74-7; Hydrocinnamyl propionate; Phenylpropyl propionate; Benzenepropanol, 1-propanoate; BENZENEPROPANOL, PROPANOATE; 3-Phenyl-1-propanol propionate; 1-Propanol, 3-phenyl-, propionate; FEMA No. 2897; NSC 6032; EINECS 204-571-9; BRN 3272005; AI3-18535; NSC-6032; C4756E9F55

    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
    Floral
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary85.8% (235 / 274)

    GHS hazard classification

    GHS notification summary85.8% (235 / 274)
    Reported hazard statementsH315 (14.2%), H319 (14.2%), H335 (14.2%)

    This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.

    H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    3-phenylpropyl propionate is identified by CAS 122-74-7, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII C4756E9F55; ChEBI 179906; InChIKey GTNCESCYZPMXCJ-UHFFFAOYSA-N. Boiling Point: 279.00 to 280.00 °C. @ 760.00 mm Hg; Boiling Point: 265 °C; Density: 0.995-1.005.

    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.

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