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Ethyl pyruvate | 617-35-6

Product name:Ethyl pyruvate

CAS No:617-35-6
MF:C5H8O3
MW:116.1152
MDL:MFCD00009123
CID:38979
PubChem ID:24849825
Introduction
      Ethyl pyruvate(ethyl pyruvate),also called2Ethyl monooxopropionate,Colorless and transparent liquid at normal temperature,With fresh\Sweet floral and fruity aroma,Available for Apple\citrus\Chocolate and other flavors.Ethyl pyruvate is an important intermediate in organic synthesis,In medicine\pesticide\food\Cosmetics and other industries have a wide range ofuse to.
Names and Identifiers
  • Ethyl pyruvate
  • Ethyl 2-oxopropionate
  • Pyruvic acid ethyl ester
  • Brenztraubensaeure-ethylester
  • 2-Oxo-propionic acid ethyl ester
  • ethyl 2-oxopropanoate
  • Pyruvic Acid-13C Eth
  • Pyruvic acid, ethyl ester
  • Propanoic acid, 2-oxo-, ethyl ester
  • Ethyl pyroracemate
  • Ethyl acetylformate
  • Ethyl alpha-ketopropionate
  • Ethyl pyruvate (natural)
  • FEMA No. 2457
  • Ethyl pyruvate, 98%
  • C5H8O3
  • 2-oxopropanoic acid ethyl ester
  • XXRCUYVCPSWGCC-UHFFFAOYSA-N
  • Pyruvic acid, ethyl ester (8CI)
  • 03O9
  • Pyruvic Acid Ethyl Ester
  • Ethyl pyruvate,98%
  • MDL:MFCD00009123
  • InChIKey:XXRCUYVCPSWGCC-UHFFFAOYSA-N
  • Inchi:1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
  • SMILES:O(C(C(C([H])([H])[H])=O)=O)C([H])([H])C([H])([H])[H]
  • BRN:1071466
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 116.04700
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 3
  • Monoisotopic Mass: 116.047344
  • Heavy Atom Count: 8
  • Complexity: 106
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Isotope Atom Count: 0
  • XLogP3: 0.4
  • Tautomer Count: 2
  • Surface Charge: 0
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • LogP: 0.13850
  • PSA: 43.37000
  • Merck: 8021
  • Refractive Index: n20/D 1.404(lit.)
  • Water Partition Coefficient: Miscible with water, ethanol and ether.
  • Boiling Point: 144 °C(lit.)
  • Melting Point: -58°C
  • Flash Point: Fahrenheit: 114.8 ° f
    Celsius: 46 ° c
  • FEMA: 2457
  • Solubility: 10g/l
  • Color/Form: Yellow transparent liquid
  • Solubility: Soluble in ethanol, ether, acetone, slightly soluble in water
  • Density: 1.045 g/mL at 25 °C(lit.)
Security Information
  • Symbol: GHS02
  • WGK Germany:3
  • Safety Instruction:S16
  • Packing Group:III
  • Risk Phrases:R10
  • Hazard Level:3
  • Dấu hiệu hàng nguy hiểm: Xi Xi F F
  • Hazardous Material transportation number:UN 3272 3/PG 3
  • Hazard Statement:H226
  • Warning Statement:P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
  • Prompt:warning
  • Storage Condition:2-8°C
  • PackingGroup:III
  • Hazard Category Code:10
  • Signal Word:Warning
  • TSCA:Yes
  • HazardClass:3
Customs Data
  • HS CODE:29183000
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Catalysts: Silver triflate ,  2249872-40-8 Solvents: Methanol ;  18.5 h, 40 °C
Reference
Hydroalkoxylation of terminal and internal alkynes catalyzed by dinuclear gold(I) complexes with bridging Di(N-heterocyclic carbene) ligands
Marcheggiani, Elena; et al, Catalysts, 2020, 10(1),
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