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CAS 14059-92-8 Phenol, 4-ethyl-2,6-dimethoxy- molecular structure lightbox
CAS RN: 14059-92-8

Phenol, 4-ethyl-2,6-dimethoxy-

  • Product code: SSC-051147
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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: 1g
  • 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 14059-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

14059-92-8 / 4-ethyl-2,6-dimethoxyphenol

Standard CAS: 14059-92-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14059-92-8
Multi CAS
No
Molecular Formula
C10H14O3
Molecular Weight
182.220000
Exact Mass
182.094294
SMILES
CCC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3
InChIKey
PJWDIHUFLXQRFF-UHFFFAOYSA-N

Physical Properties

Boiling Point
106.00 °C. @ 2.00 mm Hg
Density
1.075-1.080
Physical Description
Water white liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.59
TPSA
38.69

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2.5
Consensus LogP
2.07
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 89 of 91 companies (only 2.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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