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trans-2-hexenyl caproate

CAS 53398-86-0C12H22O2MW 198.30

trans-2-hexenyl caproate (CAS 53398-86-0) — formula C12H22O2, molecular weight 198.30; category organic chemicals.

Product Overview

CAS Number53398-86-0
Molecular FormulaC12H22O2
Molecular Weight198.30
Boiling Point125.00 °C. @ 25.00 mm Hg
LogP3.9
CategoryOrganic Chemicals

Technical Profile

What this product is

trans-2-hexenyl caproate is a carbon-based organic compound with CAS registry number 53398-86-0 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 53398-86-0

Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.

Also known as: trans-2-hexenyl caproate · 反-2-己烯己酸酯 · trans-2-Hexenyl hexanoate

Category: organic chemicals

Frequently Asked Questions

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

The CAS registry number of trans-2-hexenyl caproate is 53398-86-0.

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

Molecular formula C12H22O2, molecular weight 198.30.

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

It is also registered under: trans-2-hexenyl caproate, 反-2-己烯己酸酯, trans-2-Hexenyl hexanoate.

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

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for trans-2-hexenyl caproate (CAS 53398-86-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number53398-86-0
PubChem CID5352973
Molecular formulaC12H22O2
Molecular weight198.16 g/mol
IUPAC name[(E)-hex-2-enyl] hexanoate
InChIKeyUQPLEMTXCSYMEK-VQHVLOKHSA-N
UNII (FDA)CF5RIO6PQE
ChEBI IDCHEBI:171834
FEMA number3983
JECFA number1381

Computed descriptors

Molecular Weight198.30
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3
Heavy Atom Count14

Physicochemical values on record

Boiling Point125.00 °C. @ 25.00 mm Hg
Boiling Point125 °C (25 mm Hg)
Density0.875-0.885
Refractive Index1.432-1.446

Documented uses on record

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

    Synonyms and trade names

    trans-2-Hexenyl Hexanoate; 53398-86-0; (E)-2-Hexenyl hexanoate; trans-2-Hexenyl caproate; [(E)-hex-2-enyl] hexanoate; Hexanoic acid, 2-hexenyl ester, (E)-; CF5RIO6PQE; Hexanoic acid, (2E)-2-hexen-1-yl ester; 2-Hexenyl hexanoate, (2E)-; Hexanoic acid, (2E)-2-hexenyl ester; (E)Hex-2-enyl hexanoate; EINECS 258-519-5; AI3-35968; FEMA NO. 3983; WE(6:1(2E)/6:0); DTXSID50886053

    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
    Green
    2-HEXENYL HEXANOATE, TRANS-
    GHS notification summary99.3% (138 / 139)

    GHS hazard classification

    GHS notification summary99.3% (138 / 139)

    This chemical does not meet GHS hazard criteria for 99.3% (138 of 139) of all reports.

    Reported as not meeting GHS hazard criteria by 138 of 139 companies (only 0.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    trans-2-Hexenyl hexanoate is identified by CAS 53398-86-0, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII CF5RIO6PQE; ChEBI 171834; InChIKey UQPLEMTXCSYMEK-VQHVLOKHSA-N. Boiling Point: 125.00 °C. @ 25.00 mm Hg; Boiling Point: 125 °C (25 mm Hg); Density: 0.875-0.885.

    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: 反式2-己烯基己酸酯

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