CAS RN: 128-39-2
2,6-Di-tert-butylphenol
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250111 | 100ml / 250ml / 500ml / 1L / 5L / 25L | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250924 | 1kg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250117 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 5ml | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-035378
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 100g, 500g, 1000g, 25g
- Available purity: >98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
128-39-2 / 2,6-ditert-butylphenol
Basic Information
CAS
128-39-2
Multi CAS
No
Molecular Formula
C14H22O
Molecular Weight
206.320000
Exact Mass
206.167065
SMILES
CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
InChI
InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
InChIKey
DKCPKDPYUFEZCP-UHFFFAOYSA-N
Physical Properties
Melting Point
97 °F (USCG, 1999)
37 °C
36-37 °C
Boiling Point
487 °F at 760 mmHg (USCG, 1999)
253 °C
Density
0.914 at 68 °F (USCG, 1999) - Less dense than water; will float
0.914 @ 20 °C
0.91 g/cm³
Physical Description
2,6-di-tert-butylphenol appears as odorless colorless to light yellow solid or liquid. Floats on water. Freezing point is 97 °F. (USCG, 1999)
Liquid, Other Solid; Liquid
Light-straw colored solid; [Hawley] White solid; mp = 35-38 deg C;
COLOURLESS-TO-YELLOW CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.
Appearance
Light straw, crystalline solid
Colorless solid
State
Solid
Storage Conditions
Store in an area without drain or sewer access. Separated from food and feedstuffs. See Chemical Dangers.
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.51
TPSA
20.23
LogP / Solubility
WLOGP
3.99
MLOGP
3.51
XLogP3
4.9
Consensus LogP
4.13
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (80.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H400 (74.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (79.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501
Hazard Class/Division
9
Packing Group
III
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