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CAS 1193-18-6 3-Methyl-2-cyclohexen-1-one molecular structure lightbox
CAS RN: 1193-18-6

3-Methyl-2-cyclohexen-1-one

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250301 100g In stock Inquiry
Batchno.20250629 25g In stock Inquiry
Batchno.20250727 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250227 2g / 10g / 50g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing 8-10 business days Inquiry
  • Product code: SSC-019824
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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: 25g
  • Available purity: ≥95%
  • 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 1193-18-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1193-18-6 / 3-methylcyclohex-2-en-1-one

3-METHYL-2-CYCLOHEXEN-1-ONE | 3-Methylcyclohex-2-en-1-one | 3-Methyl-2-cyclohexenone

Standard CAS: 1193-18-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1193-18-6
Multi CAS
No
Molecular Formula
C7H10O
Molecular Weight
110.150000
Exact Mass
110.073165
SMILES
CC1=CC(=O)CCC1
InChI
InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey
IITQJMYAYSNIMI-UHFFFAOYSA-N
Synonyms
3-METHYL-2-CYCLOHEXEN-1-ONE 3-Methylcyclohex-2-en-1-one 3-Methyl-2-cyclohexenone Seudenone 2-Cyclohexen-1-one, 3-methyl-

Physical Properties

Melting Point
-21 °C
Density
0.967-0.972
Physical Description
Liquid Clear liquid; medicinal, phenolic, mild cherry odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.57
H-bond acceptors
1
Molar refractivity
32.61
TPSA
17.07

LogP / Solubility

WLOGP
1.69
MLOGP
1.47
XLogP3
0.8
Consensus LogP
1.32
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.2

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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