CAS RN: 96-70-8
2-tert-Butyl-4-ethylphenol
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 100g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260326 | 25g | In stock | Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250928 | 500g | Out of stock | Inquiry | |
| Batchno.20250303 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-211790
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
96-70-8 / 2-tert-butyl-4-ethylphenol
Basic Information
CAS
96-70-8
Multi CAS
Yes
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
InChI
InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
InChIKey
LZHCVNIARUXHAL-UHFFFAOYSA-N
Physical Properties
Melting Point
23 °C
Boiling Point
250 °C @ 760 MM HG
Physical Description
White to pale brown solid; mp = 28-32 deg C
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.18
TPSA
20.23
LogP / Solubility
WLOGP
3.25
MLOGP
2.86
XLogP3
4
Consensus LogP
3.37
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
