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CAS 102-16-9 Benzyl Phenylacetate molecular structure lightbox
CAS RN: 102-16-9

Benzyl Phenylacetate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250623 100g In stock Inquiry
Batchno.20250109 25g In stock Inquiry
Batchno.20250619 500g In stock Inquiry
  • Product code: SSC-003171
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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: 100g, 25g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 102-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
100g -- 4 In Stock Beijing Inquiry
25g -- 3 In Stock Hong Kong Inquiry
25g ≥98% 3 In Stock Shanghai Inquiry
500g -- 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

102-16-9 / benzyl 2-phenylacetate

Benzyl phenylacetate | BENZENEACETIC ACID, PHENYLMETHYL ESTER | Benzyl benzeneacetate

Standard CAS: 102-16-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
102-16-9
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
MIYFJEKZLFWKLZ-UHFFFAOYSA-N
Synonyms
Benzyl phenylacetate BENZENEACETIC ACID, PHENYLMETHYL ESTER Benzyl benzeneacetate Benzyl alpha-toluate Acetic acid, phenyl-, benzyl ester

Physical Properties

Boiling Point
318.00 to 320.00 °C. @ 760.00 mm Hg
Density
1.1 (NTP, 1992) - Denser than water; will sink 1.094-1.100
Physical Description
Benzyl phenylacetate is a clear colorless liquid with a honey-like odor. (NTP, 1992) colourless liquid with a sweet, honey-floral odour
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
66.38
TPSA
26.3

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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 1636 of 1676 companies (only 2.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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