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Ethyl 2,4,7-decatrienoate

CAS 78417-28-4C12H18O2MW 194.13 g/mol

Ethyl 2,4,7-decatrienoate (CAS 78417-28-4) — formula C12H18O2, molecular weight 194.13 g/mol.

Product Overview

CAS Number78417-28-4
Molecular FormulaC12H18O2
Molecular Weight194.13 g/mol
Boiling Point134 °C (14 mm Hg)
LogP3.3

Technical Profile

What this product is

Ethyl 2,4,7-decatrienoate is a chemical compound with CAS registry number 78417-28-4 and molecular formula C12H18O2 (molecular weight 194.13 g/mol).

Identification

CAS number: 78417-28-4

Its molecular formula C12H18O2 comprises 12 C, 18 H, 2 O atoms.

Also known as: Ethyl 2,4,7-decatrienoate · 2,4,7-癸三烯酸乙酯

Frequently Asked Questions

What is the CAS number of Ethyl 2,4,7-decatrienoate?

The CAS registry number of Ethyl 2,4,7-decatrienoate is 78417-28-4.

What is the molecular formula and molecular weight of Ethyl 2,4,7-decatrienoate?

Molecular formula C12H18O2, molecular weight 194.13 g/mol.

What other names is Ethyl 2,4,7-decatrienoate known by?

It is also registered under: Ethyl 2,4,7-decatrienoate, 2,4,7-癸三烯酸乙酯.

PubChem Public Data

Independent reference data for Ethyl 2,4,7-decatrienoate (CAS 78417-28-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number78417-28-4
PubChem CID3018771
Molecular formulaC12H18O2
Molecular weight194.13 g/mol
IUPAC nameethyl deca-2,4,7-trienoate
InChIKeyKRCQDQXKPOKJOE-UHFFFAOYSA-N
UNII (FDA)H59MQA278Y
FEMA number3832
JECFA number1193

Computed descriptors

Molecular Weight194.27
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass194.130679813
Monoisotopic Mass194.130679813
Topological Polar Surface Area26.3
Heavy Atom Count14

Physicochemical values on record

Boiling Point134 °C (14 mm Hg)
Density0.933-0.939
Refractive Index1.547-1.554

Documented uses on record

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

    Synonyms and trade names

    78417-28-4; Ethyl 2,4,7-decatrienoate; DTXSID30868478; 2,4,7-Decatrienoic acid, ethyl ester; RefChem:138524; FEMA NO. 3832; DTXCID80816580; ETHYL 2,4,7-DECATRIENOATE [FHFI]; 422-590-2; 638-984-4; FEMA 3832; H59MQA278Y; UNII-H59MQA278Y; ethyl deca-2,4,7-trienoate; SCHEMBL4411658; KRCQDQXKPOKJOE-UHFFFAOYSA-N

    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
    Dairy
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary3.8% (1 / 26)

    GHS hazard classification

    GHS notification summary3.8% (1 / 26)
    Reported hazard statementsH317 (96.2%), H315, H400, H411

    This chemical does not meet GHS hazard criteria for 3.8% (1 of 26) of reports.

    H317 (96.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]

    What the public record says

    Ethyl 2,4,7-decatrienoate is identified by CAS 78417-28-4, molecular formula C12H18O2 and molecular weight 194.13 g/mol. UNII H59MQA278Y; InChIKey KRCQDQXKPOKJOE-UHFFFAOYSA-N. Boiling Point: 134 °C (14 mm Hg); Density: 0.933-0.939; Refractive Index: 1.547-1.554.

    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: 2,4,7-癸三烯酸乙酯

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