CAS RN: 10519-33-2
3-Decen-2-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 1ml / 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTD1933
- Purity/Analytical Methods: >93.0%(GC)
10519-33-2 / (E)-dec-3-en-2-one
SCHEMBL120781 | NS00054468
Basic Information
CAS
10519-33-2
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
CCCCCC/C=C/C(=O)C
InChI
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey
JRPDANVNRUIUAB-CMDGGOBGSA-N
Synonyms
SCHEMBL120781
NS00054468
Physical Properties
Density
0.809-0.813
Physical Description
Colourless liquid; fruity floral jasmine-like aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
48.58
TPSA
17.07
LogP / Solubility
WLOGP
3.1
MLOGP
2.72
XLogP3
3.4
Consensus LogP
3.07
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.46
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
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
Warning
GHS Hazard Statements
H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H319 (31%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P331, P332+P317, P362+P364, P391, P405, and P501
P264+P265, P280, P305+P351+P338, and P337+P317
