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Beta-Damascenone

CAS 23726-93-4C13H18OMW 190.14 g/mol

Beta-Damascenone (CAS 23726-93-4) — formula C13H18O, molecular weight 190.14 g/mol.

Product Overview

CAS Number23726-93-4
Molecular FormulaC13H18O
Molecular Weight190.14 g/mol
Boiling Point274.00 to 276.00 °C. @ 760.00 mm Hg
LogP3.2

Technical Profile

What this product is

Beta-Damascenone is a chemical compound with CAS registry number 23726-93-4 and molecular formula C13H18O (molecular weight 190.14 g/mol).

Identification

CAS number: 23726-93-4

Its molecular formula C13H18O comprises 13 C, 18 H, 1 O atoms.

Also known as: Beta-Damascenone · 大马士酮

Frequently Asked Questions

What is the CAS number of Beta-Damascenone?

The CAS registry number of Beta-Damascenone is 23726-93-4.

What is the molecular formula and molecular weight of Beta-Damascenone?

Molecular formula C13H18O, molecular weight 190.14 g/mol.

What other names is Beta-Damascenone known by?

It is also registered under: Beta-Damascenone, 大马士酮.

PubChem Public Data

Independent reference data for Beta-Damascenone (CAS 23726-93-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number23726-93-4
PubChem CID5366074
Molecular formulaC13H18O
Molecular weight190.14 g/mol
IUPAC name(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
InChIKeyPOIARNZEYGURDG-FNORWQNLSA-N
UNII (FDA)U66V25TBO0
ChEBI IDCHEBI:67251
FEMA number3420
JECFA number387

Computed descriptors

Molecular Weight190.28
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass190.135765193
Monoisotopic Mass190.135765193
Topological Polar Surface Area17.1
Heavy Atom Count14

Physicochemical values on record

Boiling Point274.00 to 276.00 °C. @ 760.00 mm Hg
Boiling Point60 °C
Density0.945-0.952 (20 °C)
Refractive Index1.508-1.514

Documented uses on record

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

    Synonyms and trade names

    beta-Damascenone; 23726-93-4; trans-beta-Damascenone; trans-damascenone; (E)-beta-damascenone; FEMA No. 3420; (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; U66V25TBO0; 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one; CHEBI:67251; DTXSID90885242; 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2E-buten-1-one; RefChem:567817; DTXCID4021397; 245-833-2

    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
    Floral
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH315 (69.9%), H317 (99.9%), H411 (99.8%)

    H315 (69.9%): Causes skin irritation [Warning Skin corrosion/irritation]

    H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

    What the public record says

    Beta-Damascenone is identified by CAS 23726-93-4, molecular formula C13H18O and molecular weight 190.14 g/mol. UNII U66V25TBO0; ChEBI 67251; InChIKey POIARNZEYGURDG-FNORWQNLSA-N. Boiling Point: 274.00 to 276.00 °C. @ 760.00 mm Hg; Boiling Point: 60 °C; Density: 0.945-0.952 (20 °C).

    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: 大马士酮

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