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CAS 14858-73-2 bis(2-ethylhexyl) carbonate molecular structure lightbox
CAS RN: 14858-73-2

bis(2-ethylhexyl) carbonate

  • Product code: SSC-058835
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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: 1g
  • Available purity: ＞97%
  • 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 14858-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

14858-73-2 / bis(2-ethylhexyl) carbonate

Standard CAS: 14858-73-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14858-73-2
Multi CAS
No
Molecular Formula
C17H34O3
Molecular Weight
286.400000
Exact Mass
286.250795
SMILES
CCCCC(CC)COC(=O)OCC(CC)CCCC
InChI
InChI=1S/C17H34O3/c1-5-9-11-15(7-3)13-19-17(18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
PXTQQOLKZBLYDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
3
Molar refractivity
83.91
TPSA
35.53

LogP / Solubility

WLOGP
5.57
MLOGP
4.91
XLogP3
6.8
Consensus LogP
5.76
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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