[email protected]
CAS 589-98-0 3-Octanol molecular structure lightbox
CAS RN: 589-98-0

3-Octanol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 100ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260319 25ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20251020 500ml In stock Shanghai, Shandong Inquiry
Batchno.20260217 5ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-167270
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 589-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

589-98-0 / octan-3-ol

Standard CAS: 589-98-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
589-98-0
Multi CAS
Yes
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
InChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChIKey
NMRPBPVERJPACX-UHFFFAOYSA-N

Physical Properties

Melting Point
-45.00 °C. @ 760.00 mm Hg
Boiling Point
173.00 to 175.00 °C. @ 760.00 mm Hg
Density
0.817-0.824
Physical Description
colourless liquid with a strong, oily-nutty, herbaceous odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.44
TPSA
20.23

LogP / Solubility

WLOGP
2.34
MLOGP
2.05
XLogP3
2.8
Consensus LogP
2.4
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-1.85

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

Customers Also Viewed

Get In Touch

Contact Us