Basic information
- CAS
1540-28-9- Standard SMILES
CCCC(C(C)=O)C(=O)OCC- InChIKey
VHOACUZAQKMOEQ-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Pentanoic acid, 2-acetyl-, ethyl ester
- IUPAC
- ethyl 2-acetylpentanoate
- English name
- Ethyl 2-propylacetoacetate
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
1540-28-9Ethyl 2-acetylvaleratePentanoic acid, 2-acetyl-, ethyl estern-Amyl acetoacetateEthyl alpha-propylacetoacetateNSC 6764EINECS 216-269-4NSC 67958Valeric acid, 2-acetyl-, ethyl esterAI3-06005DTXSID40870885RefChem:171439
Show more names
Ethyl propylacetoacetateethyl 2-ethanoylpentanoate2-Acetylvaleric acid ethyl ester
DTXCID60818567Ethyl 2-acetylpentanoateEthyl 2-propylacetoacetateMFCD000485632-ACETYL-PENTANOIC ACID ETHYL ESTEREthyl .alpha.-propylacetoacetateEthyl 2-n-propylacetoacetateETHYL n-PROPYLACETOACETATE
Database identifiers
- CAS
1540-28-9- PubChem CID
- 95398
- DTXSID
DTXSID40870885- EC Number
- 216-269-4
- Nikkaji
- J136.404I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 224 °C · 224°C (estimate)
- Density
- 0.9661 · 0.9661
- refractive index
- 1.4255 · 1.4255 (estimate)
- pka
- 12.17 · 12.17±0.46(Predicted)
- LogP
- 1.74 · 1.740 (est)
- EPA Substance Registry System
- 2 · Pentanoic acid, 2-acetyl-, ethyl ester (1540-28-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanoic acid, 2-acetyl-, ethyl ester: INACTIVE
Applications
UsesEthyl 2-acetylpentanoate (CAS# 1540-28-9) is an intermediate in the synthesis of 3-[(Dimethylamino)methyl]-2-hexanone (D462285), derived from Ethyl Acetoacetate (E899545), which is a chemical intermediate us in the production of various analgesics, antibiotics, and antimalarial agents.
Upstream & downstream products
Downstream products
Suppliers9 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
10 records
Compound notes
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