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CAS 25415-67-2 ETHYL 4-METHYLVALERATE molecular structure lightbox
CAS RN: 25415-67-2

ETHYL 4-METHYLVALERATE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260513 25ml In stock Inquiry
Batchno.20251110 5ml In stock Inquiry
  • Product code: SSC-121360
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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: 10g
  • Available purity: ＞97%
  • 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 25415-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

25415-67-2 / ethyl 4-methylpentanoate

Standard CAS: 25415-67-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25415-67-2
Multi CAS
No
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
SMILES
CCOC(=O)CCC(C)C
InChI
InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey
OFQRUTMGVBMTFQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
160.00 to 163.00 °C. @ 760.00 mm Hg
Density
0.865 - 0.875
Physical Description
Clear to pale yellow liquid / Fruity tropical aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
40.71
TPSA
26.3

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
2.1
Consensus LogP
1.94
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.19

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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