CAS RN: 3913-81-3
trans-2-Decenal
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
- Product code: SSC-146753
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: 100g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
3913-81-3 / dec-2-enal
Basic Information
CAS
3913-81-3
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3
InChIKey
MMFCJPPRCYDLLZ-UHFFFAOYSA-N
Physical Properties
Density
0.836-0.846
Physical Description
Colourless to slightly yellow liquid; Powerful waxy, orange aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
48.58
TPSA
17.07
LogP / Solubility
WLOGP
3.1
MLOGP
2.72
XLogP3
3.7
Consensus LogP
3.17
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-1.46
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
1.5
