[email protected]
CAS 539-30-0 BENZYL ETHYL ETHER molecular structure lightbox
CAS RN: 539-30-0

BENZYL ETHYL ETHER

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250408 100mg In stock Inquiry
Batchno.20260629 10g In stock Inquiry
Batchno.20260406 1g In stock Inquiry
Batchno.20251220 250mg In stock Inquiry
Batchno.20251031 5g In stock Inquiry
  • Product code: SSC-161298
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: 5g
  • Available purity: ≥95%
  • 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 539-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

539-30-0 / ethoxymethylbenzene

Standard CAS: 539-30-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
539-30-0
Multi CAS
No
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
AXPZDYVDTMMLNB-UHFFFAOYSA-N

Physical Properties

Boiling Point
87.00 to 88.00 °C. @ 30.00 mm Hg
Density
0.947-0.951 (20°)
Physical Description
colourless oily liquid with a powerful, fruity, rather sharp aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
41.77
TPSA
9.23

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-1.97

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us