CAS RN: 698-87-3
1-Phenyl-2-propanol
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-179570
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
698-87-3 / 3-phenylpropan-1-ol
Basic Information
CAS
698-87-3
Multi CAS
Yes
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
VAJVDSVGBWFCLW-UHFFFAOYSA-N
Physical Properties
Melting Point
< -18 °C
Boiling Point
241 °C
Boiling point: 508.2 - 515.15 deg K; boiling point: 119 °C at 12 mm Hg
235.00 to 236.00 °C. @ 760.00 mm Hg
Density
0.995 g/cu cm at 25 °C
0.993-1.002
Physical Description
Liquid
Clear light yellow liquid;
Colourless, slightly viscous liquid, sweet hyacinth odour
Appearance
Colorless liquid
Slightly viscous, colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.85
TPSA
20.23
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.9
Consensus LogP
1.64
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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