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allyl caprylate

CAS 4230-97-1C11H20O2MW 184.27

allyl caprylate (CAS 4230-97-1) — formula C11H20O2, molecular weight 184.27; category organic chemicals.

Product Description

allyl caprylate (CAS 4230-97-1) is a organic chemicals. Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms. Its molecular weight is about 184.27. Reported physicochemical data: boiling point around 87.00 to 88.00 °C. @ 5.50 mm Hg, LogP about 3.8. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number4230-97-1
Molecular FormulaC11H20O2
Molecular Weight184.27
Boiling Point87.00 to 88.00 °C. @ 5.50 mm Hg
LogP3.8
Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)
Applicationsagrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering
CategoryOrganic Chemicals

Applications

Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.

Packaging & Storage

Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)

Technical Profile

What this product is

allyl caprylate is a carbon-based organic compound with CAS registry number 4230-97-1 and molecular formula C11H20O2 (molecular weight 184.27), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 4230-97-1

Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms.

Also known as: allyl caprylate · 辛酸-2-丙烯酯 · Allyl octanoate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of allyl caprylate?

The CAS registry number of allyl caprylate is 4230-97-1.

What is the molecular formula and molecular weight of allyl caprylate?

Molecular formula C11H20O2, molecular weight 184.27.

What other names is allyl caprylate known by?

It is also registered under: allyl caprylate, 辛酸-2-丙烯酯, Allyl octanoate.

What are the documented applications of allyl caprylate?

Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.

Which category does allyl caprylate belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for allyl caprylate (CAS 4230-97-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number4230-97-1
PubChem CID20219
Molecular formulaC11H20O2
Molecular weight184.15 g/mol
IUPAC nameprop-2-enyl octanoate
InChIKeyPZGMUSDNQDCNAG-UHFFFAOYSA-N
UNII (FDA)17ZH17CKME
ChEBI IDCHEBI:172058
FEMA number2037
JECFA number5

Computed descriptors

Molecular Weight184.27
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area26.3
Heavy Atom Count13

Physicochemical values on record

Boiling Point87.00 to 88.00 °C. @ 5.50 mm Hg
Boiling Point222 °C
Density0.872-0.880
Refractive Index1.432-1.434

Documented uses on record

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

    Synonyms and trade names

    Allyl octanoate; 4230-97-1; Allyl caprylate; 2-Propenyl octanoate; prop-2-enyl octanoate; Octanoic acid, 2-propenyl ester; Allyl octylate; 2-Propenyl octylate; OCTANOIC ACID, ALLYL ESTER; prop-2-en-1-yl octanoate; Allyl n-octanoate; FEMA No. 2037; EINECS 224-184-9; Octanoic acid, 2-propen-1-yl ester; UNII-17ZH17CKME; 17ZH17CKME

    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 hazard classification

    Reported hazard statementsH302 (99.7%), H311 (86%), H315 (13.4%), H319 (13.4%), H335 (13.4%), H301

    H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]

    H311 (86%): Toxic in contact with skin [Danger Acute toxicity, dermal]

    What the public record says

    Allyl octanoate is identified by CAS 4230-97-1, molecular formula C11H20O2 and molecular weight 184.15 g/mol. UNII 17ZH17CKME; ChEBI 172058; InChIKey PZGMUSDNQDCNAG-UHFFFAOYSA-N. Boiling Point: 87.00 to 88.00 °C. @ 5.50 mm Hg; Boiling Point: 222 °C; Density: 0.872-0.880.

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

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