CAS RN: 112-44-7
Undecanal
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 100ml | In stock | Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20250923 | 2.5L | In stock | Shanghai | Inquiry |
| Batchno.20250622 | 25ml | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20250216 | 500ml | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250803 | 5ml | In stock | Shanghai, Chongqing, Hebei | Inquiry |
- Product code: SSC-012489
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: ≥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 |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
112-44-7 / undecanal
UNDECANAL | Undecyl aldehyde | n-Undecanal
Basic Information
CAS
112-44-7
Multi CAS
No
Molecular Formula
C11H22O
Molecular Weight
170.290000
Exact Mass
170.167065
SMILES
CCCCCCCCCCC=O
InChI
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKey
KMPQYAYAQWNLME-UHFFFAOYSA-N
Synonyms
UNDECANAL
Undecyl aldehyde
n-Undecanal
Undecanaldehyde
Undecylic aldehyde
Physical Properties
Melting Point
-4 °C
Boiling Point
109.00 to 115.00 °C. @ 5.00 mm Hg
Density
0.825-0.832
Physical Description
Liquid
Liquid; [EPA ChAMP: Hazard Characterization] Clear colorless liquid;
colourless to slightly yellow liquid/sweet, fatty, floral odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
53.29
TPSA
17.07
LogP / Solubility
WLOGP
3.72
MLOGP
3.27
XLogP3
4.3
Consensus LogP
3.76
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.12
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (84%): Causes skin irritation [Warning Skin corrosion/irritation]
H412 (15.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501
