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CAS 126-81-8 Dimedone molecular structure lightbox
CAS RN: 126-81-8

Dimedone

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100g In stock Inquiry
Batchno.20251024 250g In stock Inquiry
Batchno.20250704 25g In stock Inquiry
Batchno.20260426 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100g In stock Shanghai Inquiry
Batchno.20250415 1kg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260517 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260303 500g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-031440
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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: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 126-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 5 In Stock Hong Kong Inquiry
1000g ≥98% 2 In Stock Hong Kong Inquiry

126-81-8 / 5,5-dimethylcyclohexane-1,3-dione

Standard CAS: 126-81-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
126-81-8
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CC1(CC(=O)CC(=O)C1)C
InChI
InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChIKey
BADXJIPKFRBFOT-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid; [Merck Index] White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
37.65
TPSA
34.14

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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