[email protected]
CAS 106-36-5 Propyl Propionate molecular structure lightbox
CAS RN: 106-36-5

Propyl Propionate

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260412 100ml In stock Inquiry
Batchno.20260105 2.5L In stock Inquiry
Batchno.20260430 25ml In stock Inquiry
Batchno.20250608 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250119 100ml / 500ml / 2.5L / 10L / 25L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 50ml / 100ml Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250601 5ml In stock Inquiry
  • Product code: ICTP0511
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

106-36-5 / propyl propanoate

PROPYL PROPIONATE | Propyl propanoate | n-Propyl propionate

Standard CAS: 106-36-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-36-5
Multi CAS
Yes
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
SMILES
CCCOC(=O)CC
InChI
InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChIKey
MCSINKKTEDDPNK-UHFFFAOYSA-N
Synonyms
PROPYL PROPIONATE Propyl propanoate n-Propyl propionate Propanoic acid, propyl ester n-Propyl propanoate

Physical Properties

Melting Point
-75.9 °C
Boiling Point
122.00 to 124.00 °C. @ 760.00 mm Hg
Density
0.873-0.879
Physical Description
Liquid colourless to pale yellow liquid with a fruity (apple, banana, pineapple) odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
31.54
TPSA
26.3

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.7
Consensus LogP
1.41
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.47

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 Irritant
Signal
Warning
GHS Hazard Statements
H226: Flammable liquid and vapor [Warning Flammable liquids] H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids] H332 (99.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501

Customers Also Viewed

Get In Touch

Contact Us