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CAS 2021-28-5 Ethyl 3-Phenylpropionate molecular structure lightbox
CAS RN: 2021-28-5

Ethyl 3-Phenylpropionate

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 100g In stock Inquiry
Batchno.20260201 250g In stock Inquiry
Batchno.20250423 25g In stock Inquiry
Batchno.20260306 500g In stock Inquiry
Batchno.20251209 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-095230
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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: 25g, 100g, 500g
  • Available purity: >98%
  • 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 2021-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 0 Out of Stock Shanghai Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

2021-28-5 / ethyl 3-phenylpropanoate

Standard CAS: 2021-28-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
2021-28-5
Multi CAS
No
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
SMILES
CCOC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
JAGZUIGGHGTFHO-UHFFFAOYSA-N

Physical Properties

Boiling Point
477 °F at 760 mmHg (NTP, 1992) 247.00 to 249.00 °C. @ 760.00 mm Hg
Density
1.009-1.017
Physical Description
Ethyl phenylpropionate is a clear colorless liquid. (NTP, 1992) Colourless, somewhat oily liquid, sweet, fruity, honey-like odour
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
51.4
TPSA
26.3

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.26

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 146 of 148 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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