CAS RN: 102-20-5
2-Phenylethyl 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250118 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-003173
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
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
102-20-5 / 2-phenylethyl 2-phenylacetate
Phenethyl phenylacetate | 2-Phenylethyl phenylacetate | Benzeneacetic acid, 2-phenylethyl ester
Basic Information
CAS
102-20-5
Multi CAS
Yes
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
SMILES
C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKey
ZOZIRNMDEZKZHM-UHFFFAOYSA-N
Synonyms
Phenethyl phenylacetate
2-Phenylethyl phenylacetate
Benzeneacetic acid, 2-phenylethyl ester
2-phenylethyl 2-phenylacetate
Phenylethyl phenylacetate
Physical Properties
Melting Point
28 °C
Boiling Point
324.00 to 325.00 °C. @ 760.00 mm Hg
Density
1.079-1.082
Physical Description
Other Solid; Liquid
Solid
Colourless to slighty yellow liquid or crystalline mass; rose-hyacinth type odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
71.25
TPSA
26.3
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3.9
Consensus LogP
3.19
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (96.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
