CAS RN: 498-00-0
Vanillyl Alcohol
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-156091
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
498-00-0 / 4-(hydroxymethyl)-2-methoxyphenol
Basic Information
CAS
498-00-0
Multi CAS
Yes
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey
ZENOXNGFMSCLLL-UHFFFAOYSA-N
Physical Properties
Melting Point
114 - 115 °C
Boiling Point
312.00 to 313.00 °C. @ 760.00 mm Hg
Physical Description
Off-white powder;
Solid
white or colourless crystals with a mild, sweet, balsamic, vanilla-like odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.58
TPSA
49.69
LogP / Solubility
WLOGP
0.89
MLOGP
0.78
Consensus LogP
0.56
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
