[email protected]
CAS 122-48-5 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone molecular structure lightbox
CAS RN: 122-48-5

4-(4-Hydroxy-3-methoxyphenyl)-2-butanone

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 100g In stock Inquiry
Batchno.20260527 25g In stock Inquiry
Batchno.20260225 500g Out of stock Inquiry
Batchno.20250106 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g In stock Shanghai Inquiry
Batchno.20260402 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260611 500g Out of stock Inquiry
Batchno.20250311 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-024889
GET A QUOTE
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: 10g, 5g, 100g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shanghai Inquiry
100g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

122-48-5 / 4-(4-hydroxy-3-methoxyphenyl)butan-2-one

Standard CAS: 122-48-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
122-48-5
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
InChIKey
OJYLAHXKWMRDGS-UHFFFAOYSA-N

Physical Properties

Melting Point
40.5 °C 41 °C
Boiling Point
187-188 °C @ 14 mm Hg 141.00 to 0.50 °C. @ 0.00 mm Hg
Density
1.138-1.139 @ 25 °C
Physical Description
Solid with a spicy pungent odor like ginger; [Merck Index] Commercial substance: Yellowish liquid; [HSDB] Solid; Solid Yellowish to yellow-brown crystalline mass, sweet, spicy, warm, heavy floral, mildly animal balsamic, vanilla like odour
Appearance
Crystals from acetone, petroleum ether, ether plus petroleum ether
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.66
TPSA
46.53

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
0.8
Consensus LogP
1.47
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1413 of 1421 companies (only 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us