CAS RN: 101-94-0
p-Tolyl Phenylacetate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-001838
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
101-94-0 / (4-methylphenyl) 2-phenylacetate
p-Tolyl phenylacetate | p-Cresyl phenylacetate | BENZENEACETIC ACID, 4-METHYLPHENYL ESTER
Basic Information
CAS
101-94-0
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
OJEQSSJFSNLMLB-UHFFFAOYSA-N
Synonyms
p-Tolyl phenylacetate
p-Cresyl phenylacetate
BENZENEACETIC ACID, 4-METHYLPHENYL ESTER
Phenylacetic acid, p-tolyl ester
Acetic acid, phenyl-, p-tolyl ester
Physical Properties
Melting Point
76 °C
Boiling Point
310.00 °C. @ 760.00 mm Hg
Physical Description
Solid
White to off white crystals, faint lily, hyacinth, narcissus odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
66.96
TPSA
26.3
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3.6
Consensus LogP
3.17
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1558 of 1558 companies. For more detailed information, please visit ECHA C&L website.
