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CAS 7774-79-0 2-Butanone, 4-(4-methylphenyl)- molecular structure lightbox
CAS RN: 7774-79-0

2-Butanone, 4-(4-methylphenyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-187255
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 7774-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

7774-79-0 / 4-(4-methylphenyl)butan-2-one

Standard CAS: 7774-79-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7774-79-0
Multi CAS
No
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
InChI
InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3
InChIKey
BUIRDOGDCJQFDA-UHFFFAOYSA-N

Physical Properties

Boiling Point
243.00 to 244.00 °C. @ 760.00 mm Hg
Density
0.981-0.988
Physical Description
colourless oily liquid with a sweet, fruity-floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.18
TPSA
17.07

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-1.92

Drug-likeness / Medicinal Chemistry

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

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