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neryl isobutyrate

CAS 2345-24-6C14H24O2MW 224.18 g/mol

neryl isobutyrate (CAS 2345-24-6) — formula C14H24O2, molecular weight 224.18 g/mol; category organic chemicals.

Product Overview

CAS Number2345-24-6
Molecular FormulaC14H24O2
Molecular Weight224.18 g/mol
Boiling Point135.00 °C. @ 13.00 mm Hg
LogP4.5
Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)
CategoryOrganic Chemicals

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

neryl isobutyrate is a carbon-based organic compound with CAS registry number 2345-24-6 and molecular formula C14H24O2 (molecular weight 224.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 2345-24-6

Its molecular formula C14H24O2 comprises 14 C, 24 H, 2 O atoms.

Also known as: neryl isobutyrate · 异丁酸橙花酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of neryl isobutyrate?

The CAS registry number of neryl isobutyrate is 2345-24-6.

What is the molecular formula and molecular weight of neryl isobutyrate?

Molecular formula C14H24O2, molecular weight 224.18 g/mol.

What other names is neryl isobutyrate known by?

It is also registered under: neryl isobutyrate, 异丁酸橙花酯.

Which category does neryl isobutyrate 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 neryl isobutyrate (CAS 2345-24-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number2345-24-6
PubChem CID5365991
Molecular formulaC14H24O2
Molecular weight224.18 g/mol
IUPAC name[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
InChIKeyOGJYXQFXLSCKTP-LCYFTJDESA-N
UNII (FDA)M9941BHL2O
ChEBI IDCHEBI:171784
FEMA number2775
JECFA number73

Computed descriptors

Molecular Weight224.34
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass224.177630004
Monoisotopic Mass224.177630004
Topological Polar Surface Area26.3
Heavy Atom Count16

Physicochemical values on record

Boiling Point135.00 °C. @ 13.00 mm Hg
Boiling Point232 °C
Density0.88-0.90 (d20/4)
Refractive Index1.451-1.460

Documented uses on record

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

    Synonyms and trade names

    Neryl isobutyrate; 2345-24-6; FEMA No. 2775; Neryl isobutyrate (natural); Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester; Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; Neryl 2-methylpropanoate, cis-; EINECS 219-061-1; cis-3,7-Dimethyl-2,6-octadien-1-yl isobutyrate; M9941BHL2O; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (Z)-; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, cis-; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (Z)-; [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; NERYL ISOBUTYRATE [FHFI]

    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% (138 / 138)

    GHS hazard classification

    GHS notification summary100% (138 / 138)

    This chemical does not meet GHS hazard criteria for 100% (138 of 138) of all reports.

    Reported as not meeting GHS hazard criteria by 138 of 138 companies. For more detailed information, please visit ECHA C&L website.

    What the public record says

    neryl isobutyrate is identified by CAS 2345-24-6, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII M9941BHL2O; ChEBI 171784; InChIKey OGJYXQFXLSCKTP-LCYFTJDESA-N. Boiling Point: 135.00 °C. @ 13.00 mm Hg; Boiling Point: 232 °C; Density: 0.88-0.90 (d20/4).

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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