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CAS 103-56-0 Cinnamyl Propionate molecular structure lightbox
CAS RN: 103-56-0

Cinnamyl Propionate

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3 package records3 with current stock1 grade group
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Batchno.20250103 100g In stock Inquiry
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  • Product code: ICTC2375
  • Purity/Analytical Methods: >97.0%(GC)
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103-56-0 / [(E)-3-phenylprop-2-enyl] propanoate

3-Phenyl-2-propenyl propanoate | DTXSID1047607 | Cinnamyl propanoate

Standard CAS: 103-56-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103-56-0
Multi CAS
Yes
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
CCC(=O)OC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
InChIKey
KGDJMNKPBUNHGY-RMKNXTFCSA-N
Synonyms
3-Phenyl-2-propenyl propanoate DTXSID1047607 Cinnamyl propanoate 2-Propen-1-ol, 3-phenyl-, propanoate, (E)- 3-phenylallyl propanoate

Physical Properties

Density
1.029-1.034
Physical Description
Colourless to pale yellow liquid, fruity-floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
56.73
TPSA
26.3

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2

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 293 of 317 companies (only 7.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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