CAS RN: 141-73-1
4-METHOXY-4-METHYL-2-PENTANOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS141-73-1
- Purity/Analytical Methods: >99.0%
141-73-1 / 4-methoxy-4-methylpentan-2-ol
Basic Information
CAS
141-73-1
Multi CAS
No
Molecular Formula
C7H16O2
Molecular Weight
132.200000
Exact Mass
132.115030
SMILES
CC(CC(C)(C)OC)O
InChI
InChI=1S/C7H16O2/c1-6(8)5-7(2,3)9-4/h6,8H,5H2,1-4H3
InChIKey
OMSLSFZIEVFEIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.39
TPSA
29.46
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.69
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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