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CAS 564-00-1 meso-1,2:3,4-Diepoxybutane molecular structure lightbox
CAS RN: 564-00-1

meso-1,2:3,4-Diepoxybutane

  • Product code: SSC-164360
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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: 5g
  • 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 564-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

564-00-1 / 2-(oxiran-2-yl)oxirane

Standard CAS: 564-00-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
564-00-1
Multi CAS
Yes
Molecular Formula
C4H6O2
Molecular Weight
86.090000
Exact Mass
86.036779
InChI
InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
InChIKey
ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Physical Properties

Melting Point
39 °F (NTP, 1992) -19 °C
Boiling Point
291 °F at 760 mmHg (NTP, 1992) 280 °F at 760 mmHg (EPA, 1998) 138 °C
Density
1.1157 at 68 °F (NTP, 1992) - Denser than water; will sink 1.113 at 64.4 °F (EPA, 1998) - Denser than water; will sink 0.962
Physical Description
D,l-1,2:3,4-diepoxybutane is a colorless to yellow liquid. (NTP, 1992) Diepoxybutane is a colorless liquid. Used in curing polymers; crosslinking textile fibers and to prevent spoilage. (EPA, 1998) Colorless liquid; [CAMEO] Very faintly yellow clear liquid
Appearance
Water-white
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
19.48
TPSA
25.06

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.5
Consensus LogP
-0.31
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very 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)
-3.4

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

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