CAS RN: 99-83-2
ALPHA-PHELLANDRENE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 10g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250626 | 1kg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250809 | 250g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20250802 | 50g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: starshine_CAS99-83-2
- Purity/Analytical Methods: >99.0%
99-83-2 / 2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Basic Information
CAS
99-83-2
Multi CAS
Yes
Molecular Formula
C10H16
Molecular Weight
136.230000
Exact Mass
136.125201
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
InChIKey
OGLDWXZKYODSOB-UHFFFAOYSA-N
Physical Properties
Melting Point
249.00 °C. @ 760.00 mm Hg
Density
0.845-0.855
Physical Description
Colorless liquid; [Hawley]
Liquid
Colourless to slightly yellow, mobile liquid; peppery, woody, herbaceous aroma
Appearance
COLORLESS OIL
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
Molar refractivity
45.84
TPSA
0.0000
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
3.2
Consensus LogP
3.05
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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