ACETOACETALDEHYDE DIMETHYL ACETAL (CAS 5436-21-5) — formula C6H12O3, molecular weight 132.16.
| CAS Number | 5436-21-5 |
|---|---|
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.16 |
| Melting Point | -83.00 °C. @ 760.00 mm Hg |
| Boiling Point | 178.00 °C. @ 760.00 mm Hg |
| LogP | -0.3 |
| Applications | Uses: Used as a flavoring agent, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, U.S. Production: 2020: 167, 993 lb, General Manufacturing Information: 2-Butanone, 4, 4-dimethoxy-: ACTIVE |
Documented applications: Uses: Used as a flavoring agent, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, U.S. Production: 2020: 167, 993 lb, General Manufacturing Information: 2-Butanone, 4, 4-dimethoxy-: ACTIVE.
ACETOACETALDEHYDE DIMETHYL ACETAL is a chemical compound with CAS registry number 5436-21-5 and molecular formula C6H12O3 (molecular weight 132.16).
CAS number: 5436-21-5
Its molecular formula C6H12O3 comprises 6 C, 12 H, 3 O atoms.
Also known as: ACETOACETALDEHYDE DIMETHYL ACETAL · 乙酰乙醛二甲缩醛 · 4,4-Dimethoxy-2-butanone
The CAS registry number of ACETOACETALDEHYDE DIMETHYL ACETAL is 5436-21-5.
Molecular formula C6H12O3, molecular weight 132.16.
It is also registered under: ACETOACETALDEHYDE DIMETHYL ACETAL, 乙酰乙醛二甲缩醛, 4,4-Dimethoxy-2-butanone.
Recorded applications: Uses: Used as a flavoring agent, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, U.S. Production: 2020: 167, 993 lb, General Manufacturing Information: 2-Butanone, 4, 4-dimethoxy-: ACTIVE.
Independent reference data for ACETOACETALDEHYDE DIMETHYL ACETAL (CAS 5436-21-5), compiled from public chemistry databases.
| CAS Registry Number | 5436-21-5 |
|---|---|
| PubChem CID | 228548 |
| Molecular formula | C6H12O3 |
| IUPAC name | 4,4-dimethoxybutan-2-one |
| UNII (FDA) | 0IZ188B2ZA |
| FEMA number | 3381 |
| JECFA number | 593 |
| Molecular Weight | 132.16 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.078644241 |
| Monoisotopic Mass | 132.078644241 |
| Topological Polar Surface Area | 35.5 |
| Heavy Atom Count | 9 |
| Boiling Point | 178.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 178 °C |
| Melting Point | -83.00 °C. @ 760.00 mm Hg |
| Density | 0.993-0.998 |
| Refractive Index | 1.414-1.424 |
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 & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral 3-KETOBUTYRALDEHYDE DIMETHYL ACETAL |
|---|---|
| GHS notification summary | 5.6% (89 / 1598) |
| GHS notification summary | 5.6% (89 / 1598) |
|---|---|
| Reported hazard statements | H226 (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]
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰乙醛二甲缩醛