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CAS 18362-64-6 2,6-Dimethyl-3,5-heptanedione molecular structure lightbox
CAS RN: 18362-64-6

2,6-Dimethyl-3,5-heptanedione

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 100g In stock Inquiry
Batchno.20260429 1g In stock Inquiry
Batchno.20250805 25g In stock Inquiry
Batchno.20250909 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260504 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251005 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260501 500g Out of stock Inquiry
Batchno.20251220 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-084948
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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: ≥98%
  • 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 18362-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

18362-64-6 / 2,6-dimethylheptane-3,5-dione

Standard CAS: 18362-64-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18362-64-6
Multi CAS
No
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
SMILES
CC(C)C(=O)CC(=O)C(C)C
InChI
InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3
InChIKey
CEGGECULKVTYMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.31
TPSA
34.14

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.38

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids] H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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