CAS RN: 999-61-1
2-HYDROXYPROPYL ACRYLATE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 25ml / 100ml / 250ml / 1L / 5L / 25L | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: starshine_CAS999-61-1
- Purity/Analytical Methods: >99.0%
999-61-1 / 2-hydroxypropyl prop-2-enoate
Basic Information
CAS
999-61-1
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CC(COC(=O)C=C)O
InChI
InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3
InChIKey
GWZMWHWAWHPNHN-UHFFFAOYSA-N
Physical Properties
Boiling Point
BP: 70 °C at 2 mm Hg
BP: 63 °C at 0.04 kPa (0.3 mm Hg)
BP: 77 °C at 5 mm Hg
191 °C
376 °F
Density
1.05 kg/L at 25 °C
Relative density (water = 1): 1.1
1.05
Physical Description
Clear to light-yellow liquid with a sweetish, solvent odor; [NIOSH]
COLOURLESS LIQUID.
Clear to light-yellow liquid wiith a sweetish, solvent odor.
Appearance
Liquid
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.84
TPSA
46.53
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
0.3
Consensus LogP
0.16
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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