CAS RN: 100-06-1
4′-Methoxyacetophenone
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250913 | 100g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry | |
| Batchno.20260110 | 10kg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250315 | 2.5kg | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260619 | 25g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20250109 | 500g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-000001
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, 500g, 1000g
- 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.
100-06-1 / 1-(4-methoxyphenyl)ethanone
4'-Methoxyacetophenone | 100-06-1 | 4-Methoxyacetophenone
Basic Information
CAS
100-06-1
Multi CAS
Yes
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
CC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKey
NTPLXRHDUXRPNE-UHFFFAOYSA-N
Synonyms
4'-Methoxyacetophenone
100-06-1
4-Methoxyacetophenone
4-Acetylanisole
1-(4-Methoxyphenyl)ethanone
Physical Properties
Melting Point
38.2 °C
38 - 39 °C
Boiling Point
254 °C
152.00 to 154.00 °C. @ 26.00 mm Hg
Density
1.0818 g/cu cm at 41 °C
Physical Description
White crystalline powder; mp = 36-40 deg C;
Solid
Colourless to pale yellow fused solid; floral, powdery, vanillic, balsamic odour
Appearance
Crystalline solid
Colorless to pale-yellow fused solid
Yellowish-white crystals
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Light sensitive. Storage class (TRGS /technical rules for hazardous substances/ 510): Non Combustible Solids.
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43
TPSA
26.3
LogP / Solubility
WLOGP
1.9
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.29
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (12.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (10.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501
