CAS RN: 3760-95-0
(R)-(+)-Butylene Oxide
Product Availability
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4 package records4 with current stock2 grade groups
- Product code: ICTB3832
- Purity/Analytical Methods: >98.0%(GC)
3760-95-0 / 2-ethyloxirane
Basic Information
CAS
3760-95-0
Multi CAS
Yes
Molecular Formula
C4H8O
Molecular Weight
72.110000
Exact Mass
72.057515
InChI
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
InChIKey
RBACIKXCRWGCBB-UHFFFAOYSA-N
Physical Properties
Melting Point
-76 °F (NTP, 1992)
-150 °C
Boiling Point
145 °F at 760 mmHg (NTP, 1992)
63.4 °C
63.3 °C
Density
0.826 at 77 °F (USCG, 1999) - Less dense than water; will float
0.8297 g/cu cm at 20 °C
0.83 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.3
Physical Description
1,2-butylene oxide appears as a clear colorless volatile liquid with an ethereal odor. Flash point near 0 °F. Density about 6.9 lb / gal. Soluble in water. Boiling point near 140 °F. Flammable over a wide range of vapor-air concentrations. May polymerize with the evolution of heat and possible rupture of container if contaminated. Vapors irritate eyes, skin and respiratory system. Prolonged contact with skin may cause in delayed burns. Vapors are heavier than air. Used as an intermediate to make various polymers. Chemicals that polymerize are often stabilized by refrigeration.
Liquid
Colorless liquid with a characteristic odor; [ICSC] Colorless liquid with an unpleasant odor; May decompose on exposure to moisture;
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
20.03
TPSA
12.53
LogP / Solubility
WLOGP
0.8
MLOGP
0.68
XLogP3
0.8
Consensus LogP
0.76
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-2.6
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
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(S)-(-)-Butylene Oxide
- CAS RN: 30608-62-9
- Product Code: ICTB3833
- Purity/Analytical method: >98.0%(GC)
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