Butan-3-one-2-yl butanoate (CAS 84642-61-5) — formula C8H14O3, molecular weight 158.09 g/mol.
| CAS Number | 84642-61-5 |
|---|---|
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.09 g/mol |
| Boiling Point | 76 °C (11 mm Hg) |
| LogP | 1.1 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Butan-3-one-2-yl butanoate is a chemical compound with CAS registry number 84642-61-5 and molecular formula C8H14O3 (molecular weight 158.09 g/mol).
CAS number: 84642-61-5
Its molecular formula C8H14O3 comprises 8 C, 14 H, 3 O atoms.
Also known as: Butan-3-one-2-yl butanoate · 1-methyl-2-oxopropyl butyrate
The CAS registry number of Butan-3-one-2-yl butanoate is 84642-61-5.
Molecular formula C8H14O3, molecular weight 158.09 g/mol.
It is also registered under: Butan-3-one-2-yl butanoate, 1-methyl-2-oxopropyl butyrate.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Independent reference data for Butan-3-one-2-yl butanoate (CAS 84642-61-5), compiled from public chemistry databases.
| CAS Registry Number | 84642-61-5 |
|---|---|
| PubChem CID | 529253 |
| Molecular formula | C8H14O3 |
| Molecular weight | 158.09 g/mol |
| IUPAC name | 3-oxobutan-2-yl butanoate |
| InChIKey | LJDWJXUIGKSETE-UHFFFAOYSA-N |
| UNII (FDA) | SEN8DCI58L |
| ChEBI ID | CHEBI:173671 |
| FEMA number | 3332 |
| JECFA number | 407 |
| Molecular Weight | 158.19 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.094294304 |
| Monoisotopic Mass | 158.094294304 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 11 |
| Boiling Point | 76 °C (11 mm Hg) |
|---|---|
| Density | 0.972-0.992 |
| Refractive Index | 1.408-1.429 |
1-Methyl-2-oxopropyl butyrate; Butan-3-one-2-yl butanoate; Acetoyl butyrate; 84642-61-5; 3-oxobutan-2-yl butanoate; 1-Methyl-2-oxopropyl butanoate; FEMA No. 3332; SEN8DCI58L; Butanoic acid, 1-methyl-2-oxopropyl ester; EINECS 283-438-7; Butan-3-one-2-yl butanoate (natural); DTXSID601305714; BUTAN-3-ONE-2-YL BUTANOATE [FCC]; BUTAN-3-ONE-2-YL BUTANOATE [FHFI]; RefChem:570567; DTXCID201735692
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mouthfeel No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (92 / 92) |
| GHS notification summary | 100% (92 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 100% (92 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 92 of 92 companies. For more detailed information, please visit ECHA C&L website.
Butan-3-one-2-yl butanoate is identified by CAS 84642-61-5, molecular formula C8H14O3 and molecular weight 158.09 g/mol. UNII SEN8DCI58L; ChEBI 173671; InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N. Boiling Point: 76 °C (11 mm Hg); Density: 0.972-0.992; Refractive Index: 1.408-1.429.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.