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CAS 2230-90-2 menthyl formate molecular structure lightbox
CAS RN: 2230-90-2

menthyl formate

  • Product code: SSC-108564
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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 2230-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2230-90-2 / (5-methyl-2-propan-2-ylcyclohexyl) formate

Standard CAS: 2230-90-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2230-90-2
Multi CAS
No
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
SMILES
CC1CCC(C(C1)OC=O)C(C)C
InChI
InChI=1S/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3
InChIKey
XEYZAKCJAFSLGZ-UHFFFAOYSA-N

Physical Properties

Density
0.933-0.939
Physical Description
Clear colorless liquid/Sweet minty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
52.28
TPSA
26.3

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
3.6
Consensus LogP
2.84
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
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)
-1.98

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
3

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