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CAS 1003-83-4 2,2-Dimethyl-1,3-dioxacyclohept-5-ene molecular structure lightbox
CAS RN: 1003-83-4

2,2-Dimethyl-1,3-dioxacyclohept-5-ene

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250629 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251026 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250103 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250609 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-000768
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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 1003-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

1003-83-4 / 2,2-dimethyl-4,7-dihydro-1,3-dioxepine

2,2-Dimethyl-4,7-dihydro-1,3-dioxepine | 4,7-dihydro-2,2-dimethyl-1,3-dioxepin | 2,2-Dimethyl-1,3-dioxacyclohept-5-ene

Standard CAS: 1003-83-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1003-83-4
Multi CAS
Yes
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
SMILES
CC1(OCC=CCO1)C
InChI
InChI=1S/C7H12O2/c1-7(2)8-5-3-4-6-9-7/h3-4H,5-6H2,1-2H3
InChIKey
ATZGUXPLGMKHOR-UHFFFAOYSA-N
Synonyms
2,2-Dimethyl-4,7-dihydro-1,3-dioxepine 4,7-dihydro-2,2-dimethyl-1,3-dioxepin 2,2-Dimethyl-1,3-dioxacyclohept-5-ene DTXSID50905334 RefChem:508243

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
H-bond acceptors
2
Molar refractivity
35.12
TPSA
18.46

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.56

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 (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 P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501

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