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CAS 1464-53-5 1,2:3,4-Diepoxybutane molecular structure lightbox
CAS RN: 1464-53-5

1,2:3,4-Diepoxybutane

  • Product code: SSC-057452
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1464-53-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

1464-53-5 / 2-(oxiran-2-yl)oxirane

Standard CAS: 1464-53-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1464-53-5
Multi CAS
No
Molecular Formula
C4H6O2
Molecular Weight
86.090000
Exact Mass
86.036779
SMILES
C1C(O1)C2CO2
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
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures and away from mineral acids and bases. (NTP, 1992) PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Health Hazard Flammable Irritant
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H330: Fatal if inhaled [Danger Acute toxicity, inhalation] H340: May cause genetic defects [Danger Germ cell mutagenicity]
Precautionary Statement Codes
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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