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CAS 2306-91-4 Isoamyl Decanoate molecular structure lightbox
CAS RN: 2306-91-4

Isoamyl Decanoate

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 100ml Out of stock Inquiry
Batchno.20250712 25ml In stock Inquiry
Batchno.20260124 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 100g Out of stock Inquiry
Batchno.20260510 25g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260326 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-112076
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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: ＞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 2306-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

2306-91-4 / 3-methylbutyl decanoate

Standard CAS: 2306-91-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2306-91-4
Multi CAS
No
Molecular Formula
C15H30O2
Molecular Weight
242.400000
Exact Mass
242.224580
SMILES
CCCCCCCCCC(=O)OCCC(C)C
InChI
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKey
XDOGFYDZGUDBQY-UHFFFAOYSA-N

Physical Properties

Boiling Point
286.00 to 287.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
73.02
TPSA
26.3

LogP / Solubility

WLOGP
4.72
MLOGP
4.16
XLogP3
5.9
Consensus LogP
4.93
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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