CAS RN: 106-72-9
2,6-Dimethyl-5-heptenal
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250813 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-007658
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
106-72-9 / 2,6-dimethylhept-5-enal
2,6-Dimethyl-5-heptenal | 2,6-Dimethylhept-5-enal | Melonal
Basic Information
CAS
106-72-9
Multi CAS
Yes
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
SMILES
CC(CCC=C(C)C)C=O
InChI
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
InChIKey
YGFGZTXGYTUXBA-UHFFFAOYSA-N
Synonyms
2,6-Dimethyl-5-heptenal
2,6-Dimethylhept-5-enal
Melonal
5-HEPTENAL, 2,6-DIMETHYL-
FEMA No. 2389
Physical Properties
Density
0.845-0.854
Physical Description
Liquid
Liquid;
pale yellow liquid with a melon-like odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
43.89
TPSA
17.07
LogP / Solubility
WLOGP
2.57
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-1.75
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
Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements
H226 (86.6%): Flammable liquid and vapor [Warning Flammable liquids]
H317 (11.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501
