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4,4-Dimethoxy-2-butanone

CAS 5436-21-5C6H12O3MW 132.16

4,4-Dimethoxy-2-butanone (CAS 5436-21-5) — formula C6H12O3, molecular weight 132.16; category organic chemicals.

Product Overview

CAS Number5436-21-5
Molecular FormulaC6H12O3
Molecular Weight132.16
Melting Point-83.00 °C. @ 760.00 mm Hg
Boiling Point178.00 °C. @ 760.00 mm Hg
LogP-0.3
CategoryOrganic Chemicals

Technical Profile

What this product is

4,4-Dimethoxy-2-butanone is a carbon-based organic compound with CAS registry number 5436-21-5 and molecular formula C6H12O3 (molecular weight 132.16), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 5436-21-5

Its molecular formula C6H12O3 comprises 6 C, 12 H, 3 O atoms.

Also known as: 4,4-Dimethoxy-2-butanone · ACETOACETALDEHYDE DIMETHYL ACETAL

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 4,4-Dimethoxy-2-butanone?

The CAS registry number of 4,4-Dimethoxy-2-butanone is 5436-21-5.

What is the molecular formula and molecular weight of 4,4-Dimethoxy-2-butanone?

Molecular formula C6H12O3, molecular weight 132.16.

What other names is 4,4-Dimethoxy-2-butanone known by?

It is also registered under: 4,4-Dimethoxy-2-butanone, ACETOACETALDEHYDE DIMETHYL ACETAL.

Which category does 4,4-Dimethoxy-2-butanone belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 4,4-Dimethoxy-2-butanone (CAS 5436-21-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5436-21-5
PubChem CID228548
Molecular formulaC6H12O3
IUPAC name4,4-dimethoxybutan-2-one
UNII (FDA)0IZ188B2ZA
FEMA number3381
JECFA number593

Computed descriptors

Molecular Weight132.16
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area35.5
Heavy Atom Count9

Physicochemical values on record

Boiling Point178.00 °C. @ 760.00 mm Hg
Boiling Point178 °C
Melting Point-83.00 °C. @ 760.00 mm Hg
Density0.993-0.998
Refractive Index1.414-1.424

Documented uses on record

    Used as a flavoring agent; [FDA]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    4,4-dimethoxybutan-2-one; 4,4-Dimethoxy-2-butanone; Acetylacetaldehyde dimethyl acetal; 2-Butanone, 4,4-dimethoxy-; 1,1-Dimethoxy-3-butanone; Acetoacetaldehyde dimethyl acetal; 3-Oxobutyraldehyde dimethyl acetal; 4,4-Dimethoxybutanone; Formylacetone dimethyl acetal; Acetylacetaldehyddimethylacetal; 3-Oxobutanal dimethyl acetal; 3-Ketobutyraldehyde dimethylacetal; Acetoacetaldehyde, 1-(dimethyl acetal); FEMA No. 3381; beta-Oxobutyraldehyde dimethyl acetal; NSC 21538

    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
    3-KETOBUTYRALDEHYDE DIMETHYL ACETAL
    GHS notification summary5.6% (89 / 1598)

    GHS hazard classification

    GHS notification summary5.6% (89 / 1598)
    Reported hazard statementsH226 (94.4%)

    This chemical does not meet GHS hazard criteria for 5.6% (89 of 1598) of reports.

    H226 (94.4%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    4,4-Dimethoxy-2-butanone · CAS 5436-21-5 · C6H12O3. UNII 0IZ188B2ZA. Boiling Point: 178.00 °C. @ 760.00 mm Hg; Boiling Point: 178 °C; Melting Point: -83.00 °C. @ 760.00 mm Hg.

    Physical description and handling notes

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

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