Ethyl 2,4-dioxovalerate

HCID 69208
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Basic information

CAS
615-79-2
Standard SMILES
CCOC(=O)C(=O)CC(C)=O
InChIKey
OYQVQWIASIXXRT-UHFFFAOYSA-N
Molecular formula
C7H10O4
Average molar mass
158.15 g/mol
Monoisotopic mass
158.0579088

Names & identifiers

Preferred name
Ethyl 2,4-dioxovalerate
IUPAC
ethyl 2,4-dioxopentanoate
English name
Ethyl 2,4-dioxovalerate
Molecular formula
C7H10O4
Molecular weight
158.15

Names & synonyms

Ethyl 2,4-dioxovalerate615-79-2Ethyl acetopyruvatePentanoic acid, 2,4-dioxo-, ethyl esterAI3-01354EINECS 210-447-5DTXSID10210476NSC 1243RefChem:138530DTXCID10132967210-447-5OYQVQWIASIXXRT-UHFFFAOYSA-N
Show more names
erateOxalacetone2,4-dioxovaLAKOS MSC-0252Ethyl pyruvoxalateTIMTEC-BB SBB008612Ethyl dioxovalerate
Ethyl 2,4-dioxopentanoateMFCD000091242,4-dioxo-pentanoic acid ethyl ester2,4-dioxopentanoic acid ethyl esterEthyl acetonoxalateGG3AYJ4ZA3NCIOpen2_001802Ethyl (acetylmethyl)glyoxylate

Database identifiers

CAS
615-79-2
PubChem CID
69208
DTXSID
DTXSID10210476
UNII
GG3AYJ4ZA3
EC Number
210-447-5
Nikkaji
J7.029G

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
60.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
16 · 16-18 °C (lit.)
Boiling point
101 · 101-103 °C/12 mmHg (lit.)
Density
1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.474(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPentanoic acid, 2,4-dioxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29183000
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesEthyl 2,4-dioxovalerate was used in the preparation of:1H-pyrazolo-[3,4-d]-pyridazin-7(6H)-one core analogpyrazole

General DescriptionAssymmmetric hydrogenation of ethyl 2,4-dioxovalerate in the presence of chiral rhodium or ruthenium catalysts yields 2-hydroxy-4-methyltetrahydrofuran-2-one. Ethyl 2,4-dioxovalerate is a potential anti-fungal agent.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

108 records
New reaction record

Compound notes

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