CAS RN: 140-66-9
4-(1,1,3,3-Tetramethylbutyl)phenol
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250512 | 100g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250526 | 10kg | In stock | Shanghai | Inquiry |
| Batchno.20250923 | 2.5kg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250928 | 500g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: SSC-050467
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: 500g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 500g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
140-66-9 / 4-(2,4,4-trimethylpentan-2-yl)phenol
Basic Information
CAS
140-66-9
Multi CAS
No
Molecular Formula
C14H22O
Molecular Weight
206.320000
Exact Mass
206.167065
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChIKey
ISAVYTVYFVQUDY-UHFFFAOYSA-N
Physical Properties
Melting Point
85 °C
84.5 °C
Boiling Point
279 °C
Density
Density: 0.89 g/mL at 90 °C
Physical Description
Pellets or Large Crystals; Liquid; Liquid, Other Solid; Other Solid
White solid; [HSDB] Fine white plates;
Solid
Appearance
White solid
State
Solid
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
65.2
TPSA
20.23
LogP / Solubility
WLOGP
4.11
MLOGP
3.61
XLogP3
5
Consensus LogP
4.24
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-1.06
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)
Corrosive
Environmental Hazard
Irritant
Health Hazard
Signal
Danger
Warning
GHS Hazard Statements
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H312 (45.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P391, P405, and P501
P264+P265, P280, P305+P354+P338, and P317
P203, P260, P264+P265, P273, P280, P302+P352, P305+P351+P338, P317, P318, P319, P321, P337+P317, P362+P364, P391, P405, and P501
P203, P260, P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P337+P317, P362+P364, P403+P233, P405, and P501
