CAS RN: 103-75-3

2-ETHOXY-3,4-DIHYDRO-2H-PYRAN

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  • Product code: starshine_CAS103-75-3
  • Purity/Analytical Methods: >99.0%
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103-75-3 / 2-ethoxy-3,4-dihydro-2H-pyran

2-Ethoxy-3,4-dihydro-2H-pyran | 2-Ethoxypyran | 2H-Pyran, 2-ethoxy-3,4-dihydro-

Standard CAS: 103-75-3 Multi CAS: Yes

Basic Information

CAS
103-75-3
Multi CAS
Yes
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
SMILES
CCOC1CCC=CO1
InChI
InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3
InChIKey
VZJFPIXCMVSTID-UHFFFAOYSA-N
Synonyms
2-Ethoxy-3,4-dihydro-2H-pyran 2-Ethoxypyran 2H-Pyran, 2-ethoxy-3,4-dihydro- 2-Ethoxydihydropyran ETHOXYDIHYDROPYRAN

Physical Properties

Melting Point
-148 °F (USCG, 1999) FP: -100 °C
Boiling Point
289 °F at 760 mmHg (USCG, 1999) 143 °C
Density
0.875 at 68 °F (USCG, 1999) - Less dense than water; will float 0.970 @ 20 °C/20 °C
Physical Description
Ethoxydihydropyran is a colorless liquid. Floats on water. (USCG, 1999) Colorless liquid; [CAMEO]
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
34.87
TPSA
18.46

LogP / Solubility

WLOGP
1.67
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501

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