[email protected]
CAS 106-32-1 Ethyl n-Octanoate molecular structure lightbox
CAS RN: 106-32-1

Ethyl n-Octanoate

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250425 100ml In stock Inquiry
Batchno.20250413 2.5L Out of stock Inquiry
Batchno.20260521 500ml In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250823 5ml In stock Inquiry
  • Product code: SSC-007643
GET A QUOTE
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: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 106-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

106-32-1 / ethyl octanoate

ETHYL OCTANOATE | Ethyl caprylate | Ethyl n-octanoate

Standard CAS: 106-32-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-32-1
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCCCCCCC(=O)OCC
InChI
InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey
YYZUSRORWSJGET-UHFFFAOYSA-N
Synonyms
ETHYL OCTANOATE Ethyl caprylate Ethyl n-octanoate Octanoic acid, ethyl ester Caprylic acid ethyl ester

Physical Properties

Melting Point
-43.1 °C
Boiling Point
206.00 to 208.00 °C. @ 760.00 mm Hg
Density
0.865-0.868
Physical Description
Liquid Colourless liquid with a wine, brandy, fruity floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
50.01
TPSA
26.3

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
3.5
Consensus LogP
2.99
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-1.7

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
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1639 of 1784 companies (only 8.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us