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CAS 1551-44-6 Cyclohexyl Butyrate molecular structure lightbox
CAS RN: 1551-44-6

Cyclohexyl Butyrate

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260211 100g In stock Shanghai Inquiry
Batchno.20260331 25g In stock Shanghai, Chongqing Inquiry
Batchno.20260409 500g Out of stock 8-10 business days Inquiry
Batchno.20260405 5g In stock Shanghai, Shandong Inquiry
  • Product code: ICTB0758
  • Purity/Analytical Methods: >98.0%(GC)
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1551-44-6 / cyclohexyl butanoate

Standard CAS: 1551-44-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1551-44-6
Multi CAS
No
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
SMILES
CCCC(=O)OC1CCCCC1
InChI
InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey
VZHUBBUZNIULNM-UHFFFAOYSA-N

Physical Properties

Boiling Point
212.00 °C. @ 760.00 mm Hg
Density
0.953-0.959
Physical Description
Colourless liquid; fresh floral odour reminiscent of benzyl butyrate; intense sweet taste
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.87
TPSA
26.3

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-1.87

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 237 of 237 companies. For more detailed information, please visit ECHA C&L website.

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