[email protected]
CAS 583-60-8 2-Methylcyclohexanone molecular structure lightbox
CAS RN: 583-60-8

2-Methylcyclohexanone

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250915 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250518 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250819 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20250615 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 100ml In stock Shandong Inquiry
Batchno.20250417 25ml In stock Shanghai, Chongqing Inquiry
Batchno.20250330 500ml In stock Shanghai Inquiry
Batchno.20250528 5ml In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTM0197
  • Purity/Analytical Methods: >96.0%(GC)
GET A QUOTE

583-60-8 / 2-methylcyclohexan-1-one

Standard CAS: 583-60-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
583-60-8
Multi CAS
Yes
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
InChI
InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey
LFSAPCRASZRSKS-UHFFFAOYSA-N

Physical Properties

Melting Point
-6.8 °F (USCG, 1999) -14 °C 6.8 °F 7 °F
Boiling Point
329 °F at 760 mmHg (USCG, 1999) 165.1 °C 329 °F 325 °F
Density
0.93 (USCG, 1999) - Less dense than water; will float 0.925 at 20 °C/4 °C 0.924-0.926 0.93
Physical Description
O-methylcyclohexanone appears as a water-white to pale yellow liquid with an acetone-like odor. Less dense than water. Vapors heavier than air. Flash point near 135 °F. May be toxic by ingestion. Used as a solvent. Colorless liquid with a weak, peppermint-like odor; [NIOSH] Colourless liquid; weak peppermint scent Colorless liquid with a weak, peppermint-like odor.
Appearance
Water-white to pale yellow liquid Colorless liquid Colorless liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.86
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07

LogP / Solubility

WLOGP
1.77
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us