CAS RN: 121-98-2
Methyl p-Anisate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-022359
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: 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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.
121-98-2 / methyl 4-methoxybenzoate
METHYL 4-METHOXYBENZOATE | Methyl anisate | Methyl p-anisate
Basic Information
CAS
121-98-2
Multi CAS
No
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
SMILES
COC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey
DDIZAANNODHTRB-UHFFFAOYSA-N
Synonyms
METHYL 4-METHOXYBENZOATE
Methyl anisate
Methyl p-anisate
Benzoic acid, 4-methoxy-, methyl ester
Methyl p-methoxybenzoate
Physical Properties
Melting Point
48 °C
Boiling Point
244.00 to 245.00 °C. @ 760.00 mm Hg
Physical Description
White crystalline solid;
Solid
white crystals with a sweet, floral odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.33
TPSA
35.53
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
2.3
Consensus LogP
1.69
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-2.68
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
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 170 of 170 companies. For more detailed information, please visit ECHA C&L website.
