CAS RN: 122-78-1
Phenylacetaldehyde (40-55% in Diethyl Phthalate)
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251226 | 100g / 500g / 2.5kg | Out of stock | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250224 | 25ml / 100ml / 500ml / 2.5L | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-024900
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: 25g, 100g, 500g, 1000g
- Available purity: >95%
- 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.
122-78-1 / 2-phenylacetaldehyde
Basic Information
CAS
122-78-1
Multi CAS
No
Molecular Formula
C8H8O
Molecular Weight
120.150000
Exact Mass
120.057515
SMILES
C1=CC=C(C=C1)CC=O
InChI
InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
DTUQWGWMVIHBKE-UHFFFAOYSA-N
Physical Properties
Melting Point
120.5 - 121.5 °C
Density
1.023-1.045
Physical Description
Colorless oily liquid that polymerizes and becomes thicker on standing; Odor like lilac and hyacinth; mp = 33-34 deg C; [Merck Index] Colorless to yellow liquid;
Solid
Colourless to slighty yellow oily liquid; very powerful and penetrating pungent green floral and sweet odour of hyacinth type
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
36.21
TPSA
17.07
LogP / Solubility
WLOGP
1.43
MLOGP
1.25
XLogP3
1.8
Consensus LogP
1.49
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (96.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (78.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501
