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CAS 106797-53-9 2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone molecular structure lightbox
CAS RN: 106797-53-9

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250702 1g / 5g / 25g / 100g / 500g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260324 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008311
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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: 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 106797-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

106797-53-9 / 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one

Irgacure 2959 | 2-hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone | 2-hydroxy-1-[4-(hydroxyethoxy)phenyl]-2-methyl-1-propanone

Standard CAS: 106797-53-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106797-53-9
Multi CAS
Yes
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)OCCO)O
InChI
InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
InChIKey
GJKGAPPUXSSCFI-UHFFFAOYSA-N
Synonyms
Irgacure 2959 2-hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone 2-hydroxy-1-[4-(hydroxyethoxy)phenyl]-2-methyl-1-propanone RefChem:436321 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.65
TPSA
66.76

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-3.37

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

GHS Hazard Statements
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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