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CAS 622-96-8 4-Ethyltoluene molecular structure lightbox
CAS RN: 622-96-8

4-Ethyltoluene

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 1g In stock Shanghai Inquiry
  • Product code: SSC-171293
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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
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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 622-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

622-96-8 / 1-ethyl-4-methylbenzene

Standard CAS: 622-96-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
622-96-8
Multi CAS
No
Molecular Formula
C9H12
Molecular Weight
120.190000
Exact Mass
120.093900
InChI
InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
JRLPEMVDPFPYPJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Liquid; [EPA ChAMP: Hazard Characterization: p-Ethyltoluene - 2009] Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
40.56
TPSA
0.0000

LogP / Solubility

WLOGP
2.56
MLOGP
2.24
XLogP3
3.6
Consensus LogP
2.8
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-1.64

Drug-likeness / Medicinal Chemistry

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

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