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CAS 1940-18-7 1-Ethylcyclohexanol molecular structure lightbox
CAS RN: 1940-18-7

1-Ethylcyclohexanol

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260616 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260617 25g In stock Shanghai Inquiry
Batchno.20251125 500g In stock Shanghai Inquiry
Batchno.20250814 5g In stock Shanghai, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 1ml / 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTE1136
  • Purity/Analytical Methods: >98.0%(GC)
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1940-18-7 / 1-ethylcyclohexan-1-ol

Standard CAS: 1940-18-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1940-18-7
Multi CAS
No
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
SMILES
CCC1(CCCCC1)O
InChI
InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
InChIKey
BUCJHJXFXUZJHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.33
TPSA
20.23

LogP / Solubility

WLOGP
2.09
MLOGP
1.83
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.02

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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