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CAS 103-60-6 2-Phenoxyethyl Isobutyrate molecular structure lightbox
CAS RN: 103-60-6

2-Phenoxyethyl Isobutyrate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-004411
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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: 100g
  • 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 103-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

103-60-6 / 2-phenoxyethyl 2-methylpropanoate

2-Phenoxyethyl isobutyrate | Phenoxyethyl isobutyrate | 2-Phenoxyethyl 2-methylpropanoate

Standard CAS: 103-60-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103-60-6
Multi CAS
Yes
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
SMILES
CC(C)C(=O)OCCOC1=CC=CC=C1
InChI
InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
MJTPMXWJHPOWGH-UHFFFAOYSA-N
Synonyms
2-Phenoxyethyl isobutyrate Phenoxyethyl isobutyrate 2-Phenoxyethyl 2-methylpropanoate PROPANOIC ACID, 2-METHYL-, 2-PHENOXYETHYL ESTER Isobutyric acid, 2-phenoxyethyl ester

Physical Properties

Boiling Point
125.00 to 127.00 °C. @ 4.00 mm Hg
Density
1.044-1.048
Physical Description
Liquid; Liquid, Other Solid Colourless oily liqud; honey, rose-like odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
57.73
TPSA
35.53

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.8
Consensus LogP
2.35
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Signal
Warning
GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1678 of 1680 companies (only 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website. H320: Causes eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P305+P351+P338, and P337+P317

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