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CAS 1197-66-6 2,2,6,6-tetramethyl-2H-3,5,6-trihydropyran-4-one molecular structure lightbox
CAS RN: 1197-66-6

2,2,6,6-tetramethyl-2H-3,5,6-trihydropyran-4-one

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 100g In stock Shanghai Inquiry
Batchno.20260328 10g In stock Shanghai Inquiry
Batchno.20251106 1g In stock Shanghai Inquiry
Batchno.20260514 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250221 5g In stock Shanghai Inquiry
  • Product code: SSC-020389
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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: 1g, 5g, 10g, 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 1197-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

1197-66-6 / 2,2,6,6-tetramethyloxan-4-one

2,2,6,6-tetramethyloxan-4-one | DTXSID20473994 | RefChem:242980

Standard CAS: 1197-66-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1197-66-6
Multi CAS
No
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
SMILES
CC1(CC(=O)CC(O1)(C)C)C
InChI
InChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3
InChIKey
NOGFHTGYPKWWRX-UHFFFAOYSA-N
Synonyms
2,2,6,6-tetramethyloxan-4-one DTXSID20473994 RefChem:242980 DTXCID00424808 861-075-0

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
H-bond acceptors
2
Molar refractivity
43.48
TPSA
26.3

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
0.8
Consensus LogP
1.47
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.31

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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