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CAS 104-20-1 4-(4-Methoxyphenyl)-2-butanone molecular structure lightbox
CAS RN: 104-20-1

4-(4-Methoxyphenyl)-2-butanone

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 100g In stock Shanghai Inquiry
Batchno.20250906 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260113 500g Out of stock 5-7 business days Inquiry
  • Product code: SSC-005721
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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: 100g
  • Available purity: ≥97%
  • 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 104-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

104-20-1 / 4-(4-methoxyphenyl)butan-2-one

4-(4-Methoxyphenyl)-2-butanone | Anisylacetone | 4-(4-Methoxyphenyl)butan-2-one

Standard CAS: 104-20-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-20-1
Multi CAS
No
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
SMILES
CC(=O)CCC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChIKey
PCBSXBYCASFXTM-UHFFFAOYSA-N
Synonyms
4-(4-Methoxyphenyl)-2-butanone Anisylacetone 4-(4-Methoxyphenyl)butan-2-one 2-BUTANONE, 4-(4-METHOXYPHENYL)- 4-Methoxybenzylacetone

Physical Properties

Melting Point
9 - 10 °C
Boiling Point
152.00 to 153.00 °C. @ 15.00 mm Hg
Density
1.041-1.050
Physical Description
Liquid colourless oily liquid with a sweet, fruity-floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
52
TPSA
26.3

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.23

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 1567 of 1572 companies (only 0.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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