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CAS 103-25-3 Methyl 3-Phenylpropionate molecular structure lightbox
CAS RN: 103-25-3

Methyl 3-Phenylpropionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai, Chongqing, Hebei Inquiry
  • Product code: SSC-004385
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

103-25-3 / methyl 3-phenylpropanoate

Methyl 3-phenylpropionate | Methyl 3-phenylpropanoate | Methyl hydrocinnamate

Standard CAS: 103-25-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103-25-3
Multi CAS
Yes
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
COC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
RPUSRLKKXPQSGP-UHFFFAOYSA-N
Synonyms
Methyl 3-phenylpropionate Methyl 3-phenylpropanoate Methyl hydrocinnamate Benzenepropanoic acid, methyl ester 3-Phenylpropanoic acid methyl ester

Physical Properties

Boiling Point
91.00 to 92.00 °C. @ 4.00 mm Hg
Density
1.037-1.045
Physical Description
Liquid Colourless liquid, powerful, fruity-winey floral sweet odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.78
TPSA
26.3

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
2.3
Consensus LogP
1.89
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.45

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 235 of 236 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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