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CAS 4016-14-2 Glycidyl Isopropyl Ether molecular structure lightbox
CAS RN: 4016-14-2

Glycidyl Isopropyl Ether

  • Product code: SSC-148178
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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: 100g
  • Available purity: ≥96%
  • 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 4016-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥96% 0 Out of Stock Hong Kong Inquiry

4016-14-2 / 2-(propan-2-yloxymethyl)oxirane

Standard CAS: 4016-14-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4016-14-2
Multi CAS
No
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
InChI
InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-N

Physical Properties

Boiling Point
261 °F at 760 mmHg (NTP, 1992) 137 °C @ 760 MM HG 137 °C 261 °F 279 °F
Density
0.92 (USCG, 1999) - Less dense than water; will float 0.9186 @ 20 °C/4 °C Relative density (water = 1): 0.92 0.92
Physical Description
Isopropyl glycidyl ether is a colorless liquid. (USCG, 1999) Colorless liquid; [NIOSH] COLOURLESS LIQUID. Colorless liquid.
Appearance
MOBILE, COLORLESS LIQUID Colorless liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
30.83
TPSA
21.76

LogP / Solubility

WLOGP
0.81
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-2.85

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

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