CAS RN: 96-17-3
2-Methylbutyraldehyde
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250411 | 5g / 25ml / 25g / 100ml / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: ICTM0166
- Purity/Analytical Methods: >95.0%(GC)
96-17-3 / 2-methylbutanal
Basic Information
CAS
96-17-3
Multi CAS
Yes
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
InChI
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
InChIKey
BYGQBDHUGHBGMD-UHFFFAOYSA-N
Physical Properties
Melting Point
91.00 °C. @ 760.00 mm Hg
Boiling Point
90.00 to 93.00 °C. @ 760.00 mm Hg
Density
0.799-0.804
Physical Description
Liquid
Clear, colorless to light yellow liquid with an unpleasant odor;
colourless to pale yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
25.52
TPSA
17.07
LogP / Solubility
WLOGP
1.23
MLOGP
1.07
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-2.37
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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- CAS RN: 96-08-2
- Product Code: SSC-211774
![CAS 96-08-2 1-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96-08-2.gif)