CAS RN: 77-85-0
Trimethylolethane
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260414 | 1kg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250526 | 25g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260406 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-186479
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 | Hong Kong | Inquiry |
77-85-0 / 2-(hydroxymethyl)-2-methylpropane-1,3-diol
Basic Information
CAS
77-85-0
Multi CAS
Yes
Molecular Formula
C5H12O3
Molecular Weight
120.150000
Exact Mass
120.078644
InChI
InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
InChIKey
QXJQHYBHAIHNGG-UHFFFAOYSA-N
Physical Properties
Melting Point
204 °C
Boiling Point
283 °C
BP: 137 °C at 15 mm Hg
Density
1.210 g/cu cm at 20 °C
Physical Description
Dry Powder
Colorless or white solid; [HSDB]
Appearance
White powder or needles from alcohol
Colorless crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.36
TPSA
60.69
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.92
XLogP3
-1.2
Consensus LogP
-1.05
Log S (ESOL)
0.26
Class (ESOL)
Highly soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
