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CAS 1540-29-0 Ethyl 2-Butylacetoacetate molecular structure lightbox
CAS RN: 1540-29-0

Ethyl 2-Butylacetoacetate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251105 100ml In stock Inquiry
Batchno.20250725 25ml In stock Inquiry
Batchno.20260601 5ml In stock Inquiry
  • Product code: SSC-063374
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1540-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1540-29-0 / ethyl 2-acetylhexanoate

Standard CAS: 1540-29-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1540-29-0
Multi CAS
No
Molecular Formula
C10H18O3
Molecular Weight
186.250000
Exact Mass
186.125594
SMILES
CCCCC(C(=O)C)C(=O)OCC
InChI
InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
InChIKey
ZTOQBHVLCJERBS-UHFFFAOYSA-N

Physical Properties

Density
0.949-0.959 (20°)
Physical Description
Colourless clear liquid; Fruity wine-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
50.33
TPSA
43.37

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.98
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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