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CAS 3101-60-8 4-tert-Butylphenyl Glycidyl Ether molecular structure lightbox
CAS RN: 3101-60-8

4-tert-Butylphenyl Glycidyl Ether

  • Product code: SSC-136221
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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: ≥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 3101-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

3101-60-8 / 2-[(4-tert-butylphenoxy)methyl]oxirane

Standard CAS: 3101-60-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3101-60-8
Multi CAS
Yes
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKey
HHRACYLRBOUBKM-UHFFFAOYSA-N

Physical Properties

Boiling Point
329 to 338 °F at 14 mmHg (NTP, 1992)
Density
1.038 at 68 °F (NTP, 1992) - Denser than water; will sink
Physical Description
P-tert-butylphenyl glycidyl ether is a clear light yellow liquid. (NTP, 1992) Liquid; Dry Powder Clear light yellow liquid; [CAMEO] Colorless liquid with a mild odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
60.38
TPSA
21.76

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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