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CAS 10094-36-7 ETHYL CYCLOHEXANEPROPIONATE molecular structure lightbox
CAS RN: 10094-36-7

ETHYL CYCLOHEXANEPROPIONATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250713 1g In stock Inquiry
Batchno.20250430 250mg In stock Inquiry
Batchno.20250404 50mg In stock Inquiry
  • Product code: SSC-001720
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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: 0.25g
  • 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 10094-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

10094-36-7 / ethyl 3-cyclohexylpropanoate

Ethyl 3-cyclohexylpropanoate | Ethyl cyclohexanepropionate | Cyclohexanepropanoic acid, ethyl ester

Standard CAS: 10094-36-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10094-36-7
Multi CAS
Yes
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
SMILES
CCOC(=O)CCC1CCCCC1
InChI
InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKey
NRVPMFHPHGBQLP-UHFFFAOYSA-N
Synonyms
Ethyl 3-cyclohexylpropanoate Ethyl cyclohexanepropionate Cyclohexanepropanoic acid, ethyl ester Ethyl 3-cyclohexylpropionate ETHYL CYCLOHEXANE PROPIONATE

Physical Properties

Boiling Point
91.00 to 94.00 °C. @ 8.00 mm Hg
Density
0.926-0.932
Physical Description
Colourless, oily liquid; fruity odour of pear-peach-banana type
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
52.44
TPSA
26.3

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
3.5
Consensus LogP
2.99
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-1.78

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)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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