CAS RN: 121-34-6
Vanillic Acid
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.20251222 | 100g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20260318 | 2.5kg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250214 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20260328 | 500g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: SSC-022338
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: 25g, 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.
121-34-6 / 4-hydroxy-3-methoxybenzoic acid
Vanillic acid | 4-HYDROXY-3-METHOXYBENZOIC ACID | Acide vanillique
Basic Information
CAS
121-34-6
Multi CAS
Yes
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
SMILES
COC1=C(C=CC(=C1)C(=O)O)O
InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey
WKOLLVMJNQIZCI-UHFFFAOYSA-N
Synonyms
Vanillic acid
4-HYDROXY-3-METHOXYBENZOIC ACID
Acide vanillique
Benzoic acid, 4-hydroxy-3-methoxy-
3-Methoxy-4-hydroxybenzoic acid
Physical Properties
Melting Point
211.5 °C
Physical Description
White odorless solid; [Merck Index] White to beige powder;
Solid
White to beige powder or needle; vanilla like odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.62
TPSA
66.76
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
1.4
Consensus LogP
1.15
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (27.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (27.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (26.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
