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CAS 10276-21-8 Isophorone Oxide molecular structure lightbox
CAS RN: 10276-21-8

Isophorone Oxide

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 100g In stock Shanghai Inquiry
Batchno.20260530 1kg In stock Shanghai Inquiry
Batchno.20250804 25g In stock Shanghai Inquiry
Batchno.20250803 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250216 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 25g Out of stock 5-7 business days Inquiry
Batchno.20250417 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-004105
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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: ≥97%
  • 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 10276-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

10276-21-8 / 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one

Isophorone oxide | 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one | Isophorone epoxide

Standard CAS: 10276-21-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10276-21-8
Multi CAS
Yes
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
SMILES
CC1(CC(=O)C2C(C1)(O2)C)C
InChI
InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
InChIKey
ROTNQFPVXVZSRL-UHFFFAOYSA-N
Synonyms
Isophorone oxide 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one Isophorone epoxide 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl- 2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
H-bond acceptors
2
Molar refractivity
41.3
TPSA
29.6

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.57

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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