[email protected]
CAS 122-57-6 Benzalacetone molecular structure lightbox
CAS RN: 122-57-6

Benzalacetone

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 100g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260610 10kg In stock Shanghai Inquiry
Batchno.20251220 2.5kg In stock Shandong Inquiry
Batchno.20260429 500g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 100g In stock Inquiry
Batchno.20251025 2.5kg In stock Inquiry
Batchno.20260113 25g In stock Inquiry
Batchno.20250805 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260628 1kg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260115 25g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20251113 5kg In stock Shanghai Inquiry
  • Product code: SSC-024890
GET A QUOTE
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: 10g, 25g, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

122-57-6 / 4-phenylbut-3-en-2-one

Standard CAS: 122-57-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
122-57-6
Multi CAS
No
Molecular Formula
C10H10O
Molecular Weight
146.190000
Exact Mass
146.073165
SMILES
CC(=O)C=CC1=CC=CC=C1
InChI
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
BWHOZHOGCMHOBV-UHFFFAOYSA-N

Physical Properties

Physical Description
colourless to slightly yellow crystalline solid with a sweet, pungent, creamy, floral odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.16
TPSA
17.07

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-1.99

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (84.2%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (97.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us