[email protected]
CAS 3558-60-9 2-Phenylethyl Methyl Ether molecular structure lightbox
CAS RN: 3558-60-9

2-Phenylethyl Methyl Ether

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251119 100ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250722 25mL In stock Shanghai, Shandong Inquiry
Batchno.20260114 500ml In stock Shanghai Inquiry
Batchno.20250414 5ml In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-142594
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: ≥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 3558-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

3558-60-9 / 2-methoxyethylbenzene

Standard CAS: 3558-60-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3558-60-9
Multi CAS
No
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
CQLYXIUHVFRXLT-UHFFFAOYSA-N

Physical Properties

Boiling Point
185.00 to 187.00 °C. @ 760.00 mm Hg
Density
0.945-0.951
Physical Description
colourless mobile liquid, powerful, diffusive and penetrating aroma with a warm floral note
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
42.02
TPSA
9.23

LogP / Solubility

WLOGP
1.88
MLOGP
1.64
XLogP3
2.2
Consensus LogP
1.91
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.22

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