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trans-2-hexenyl valerate

CAS 56922-74-8C11H20O2MW 184.27

trans-2-hexenyl valerate (CAS 56922-74-8) — formula C11H20O2, molecular weight 184.27; category organic chemicals.

Product Overview

CAS Number56922-74-8
Molecular FormulaC11H20O2
Molecular Weight184.27
Boiling Point70.00 °C. @ 1.00 mm Hg
LogP4.170
CategoryOrganic Chemicals

Technical Profile

What this product is

trans-2-hexenyl valerate is a carbon-based organic compound with CAS registry number 56922-74-8 and molecular formula C11H20O2 (molecular weight 184.27), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 56922-74-8

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

Also known as: trans-2-hexenyl valerate · 反式2-己烯基戊酸酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of trans-2-hexenyl valerate?

The CAS registry number of trans-2-hexenyl valerate is 56922-74-8.

What is the molecular formula and molecular weight of trans-2-hexenyl valerate?

Molecular formula C11H20O2, molecular weight 184.27.

What other names is trans-2-hexenyl valerate known by?

It is also registered under: trans-2-hexenyl valerate, 反式2-己烯基戊酸酯.

Which category does trans-2-hexenyl valerate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for trans-2-hexenyl valerate (CAS 56922-74-8), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number56922-74-8
PubChem CID5352974
Molecular formulaC11H20O2
IUPAC name[(E)-hex-2-enyl] pentanoate
UNII (FDA)NQO2JJ740G
FEMA number3935
JECFA number1379

Computed descriptors

Molecular Weight184.27
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area26.3
Heavy Atom Count13

Physicochemical values on record

Boiling Point70.00 °C. @ 1.00 mm Hg
Boiling Point70 °C (1 mm Hg)
Density0.873-0.879
LogP4.170
Refractive Index1.431-1.438

Documented uses on record

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

    Synonyms and trade names

    trans-2-Hexenyl valerate; 56922-74-8; (E)-2-Hexenyl valerate; trans-2-Hexenyl pentanoate; (E)-Hex-2-enyl valerate; Pentanoic acid, 2-hexenyl ester, (E)-; Pentanoic acid, (2E)-2-hexen-1-yl ester; 2-Hexenyl pentanoate, (2E)-; Pentanoic acid, (2E)-2-hexenyl ester; NQO2JJ740G; EINECS 260-439-0; FEMA NO. 3935; DTXSID40886209; (E)-2-HEXENYL VALERATE [FHFI]; RefChem:472901; DTXCID70910021

    Regulatory listings held on file

    Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    FLAVOURING_AGENT: Flavouring Agent
    Flavoring Agents
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    ">RS 952-JECFA 69/151
    GHS notification summary100% (89 / 89)

    GHS hazard classification

    GHS notification summary100% (89 / 89)

    This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

    Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

    What the public record says

    trans-2-hexenyl valerate · CAS 56922-74-8 · C11H20O2. UNII NQO2JJ740G. Boiling Point: 70.00 °C. @ 1.00 mm Hg; Boiling Point: 70 °C (1 mm Hg); Density: 0.873-0.879.

    Physical description and handling notes

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

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