CAS RN: 1128-08-1
Dihydrojasmone
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260428 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250722 | 25g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250721 | 500g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250806 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTD1440
- Purity/Analytical Methods: >98.0%(GC)
1128-08-1 / 3-methyl-2-pentylcyclopent-2-en-1-one
Dihydrojasmone | 3-Methyl-2-pentylcyclopent-2-enone | 2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL-
Basic Information
CAS
1128-08-1
Multi CAS
Yes
Molecular Formula
C11H18O
Molecular Weight
166.260000
Exact Mass
166.135765
SMILES
CCCCCC1=C(CCC1=O)C
InChI
InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
InChIKey
YCIXWYOBMVNGTB-UHFFFAOYSA-N
Synonyms
Dihydrojasmone
3-Methyl-2-pentylcyclopent-2-enone
2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL-
FEMA No. 3763
3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one
Physical Properties
Density
0.911-0.917
Physical Description
Colourless liquid; celery, herbacous, spicy aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
51.08
TPSA
17.07
LogP / Solubility
WLOGP
3.25
MLOGP
2.85
XLogP3
2.9
Consensus LogP
3
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-1.43
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
H319 (78.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
