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CAS 539-88-8 Ethyl Levulinate molecular structure lightbox
CAS RN: 539-88-8

Ethyl Levulinate

  • Product code: SSC-161304
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g, 5000g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 539-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 5 In Stock Shenzhen Inquiry
1000g ≥98% 5 In Stock Shenzhen Inquiry
5000g ≥98% 5 In Stock Shanghai Inquiry

539-88-8 / ethyl 4-oxopentanoate

Standard CAS: 539-88-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
539-88-8
Multi CAS
Yes
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey
GMEONFUTDYJSNV-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C
Boiling Point
93.00 to 94.00 °C. @ 18.00 mm Hg
Density
1.009-1.014
Physical Description
Solid colourless to pale yellow liquid with apple odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.55
TPSA
43.37

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.1
Consensus LogP
0.61
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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