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CAS 137-89-3 Bis(2-ethylhexyl) Isophthalate molecular structure lightbox
CAS RN: 137-89-3

Bis(2-ethylhexyl) Isophthalate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100g In stock Inquiry
Batchno.20260311 25g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100g In stock Shanghai Inquiry
Batchno.20251030 25g In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-046505
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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
  • 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 137-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

137-89-3 / bis(2-ethylhexyl) benzene-1,3-dicarboxylate

Standard CAS: 137-89-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
137-89-3
Multi CAS
No
Molecular Formula
C24H38O4
Molecular Weight
390.600000
Exact Mass
390.277010
SMILES
CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
InChIKey
WXZOXVVKILCOPG-UHFFFAOYSA-N

Physical Properties

Physical Description
Bis(2-ethylhexyl) isophthalate is a clear light yellow viscous liquid. (NTP, 1992)
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
113.62
TPSA
52.6

LogP / Solubility

WLOGP
6.43
MLOGP
5.68
XLogP3
7.4
Consensus LogP
6.5
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360 (90.5%): May damage fertility or the unborn child [Danger Reproductive toxicity] H400 (92.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

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