CAS RN: 127793-88-8
(+/-)-8-METHYLDECANAL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS127793-88-8
- Purity/Analytical Methods: >99.0%
127793-88-8 / 8-methyldecanal
Basic Information
CAS
127793-88-8
Multi CAS
No
Molecular Formula
C11H22O
Molecular Weight
170.290000
Exact Mass
170.167065
SMILES
CCC(C)CCCCCCC=O
InChI
InChI=1S/C11H22O/c1-3-11(2)9-7-5-4-6-8-10-12/h10-11H,3-9H2,1-2H3
InChIKey
VXUUJYSSICSSIX-UHFFFAOYSA-N
Physical Properties
Density
0.879-0.919 (20 °)
Physical Description
colorless liquid/ citrus/green odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.91
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
53.22
TPSA
17.07
LogP / Solubility
WLOGP
3.57
MLOGP
3.14
XLogP3
4.1
Consensus LogP
3.6
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-1.22
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
