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CAS 115491-93-5 Diallyl Dicarbonate molecular structure lightbox
CAS RN: 115491-93-5

Diallyl Dicarbonate

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5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260515 1g In stock Inquiry
Batchno.20250517 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250731 1g Out of stock 8-10 business days Inquiry
Batchno.20250723 200mg In stock Shanghai Inquiry
  • Product code: SSC-015250
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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
  • Available purity: ≥95%
  • 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 115491-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

115491-93-5 / prop-2-enoxycarbonyl prop-2-enyl carbonate

Diallyl pyrocarbonate | DTXSID80402700 | RefChem:336945

Standard CAS: 115491-93-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115491-93-5
Multi CAS
Yes
Molecular Formula
C8H10O5
Molecular Weight
186.160000
Exact Mass
186.052823
SMILES
C=CCOC(=O)OC(=O)OCC=C
InChI
InChI=1S/C8H10O5/c1-3-5-11-7(9)13-8(10)12-6-4-2/h3-4H,1-2,5-6H2
InChIKey
XVSSGIXTKVRGAR-UHFFFAOYSA-N
Synonyms
Diallyl pyrocarbonate DTXSID80402700 RefChem:336945 DTXCID70353555 628-829-9

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
44.18
TPSA
61.83

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2
Consensus LogP
1.7
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.69

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): 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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