[email protected]
CAS 1806-26-4 4-N-OCTYLPHENOL molecular structure lightbox
CAS RN: 1806-26-4

4-N-OCTYLPHENOL

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 1g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250723 5g In stock Shandong Inquiry
  • Product code: SSC-081579
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: 1g
  • Available purity: ≥98%
  • 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 1806-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

1806-26-4 / 4-octylphenol

Standard CAS: 1806-26-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1806-26-4
Multi CAS
No
Molecular Formula
C14H22O
Molecular Weight
206.320000
Exact Mass
206.167065
SMILES
CCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
InChIKey
NTDQQZYCCIDJRK-UHFFFAOYSA-N

Physical Properties

Melting Point
44-45 °C
Boiling Point
280 °C
Density
0.96 g/cm³
Physical Description
White solid; [ICSC] WHITE CRYSTALS.
State
Solid
Storage Conditions
Separated from strong reducing agents. Store in an area without drain or sewer access.

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.19
TPSA
20.23

LogP / Solubility

WLOGP
4.3
MLOGP
3.78
XLogP3
5.3
Consensus LogP
4.46
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

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)
-0.93

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

Pictogram(s)
Corrosive Irritant Environmental Hazard Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H314 (81%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (80.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H302: Harmful if swallowed [Warning Acute toxicity, oral] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 P264, P270, P273, P301+P317, P330, P391, and P501 P203, P260, P264, P270, P280, P308+P316, P318, P405, and P501 P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Hazard Class/Division
8
Packing Group
II

Customers Also Viewed

Get In Touch

Contact Us