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CAS 117-83-9 Phthalic Acid Bis(2-butoxyethyl) Ester molecular structure lightbox
CAS RN: 117-83-9

Phthalic Acid Bis(2-butoxyethyl) Ester

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Hebei, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260306 100mg In stock Shanghai Inquiry
  • Product code: ICTP0657
  • Purity/Analytical Methods: >85.0%(GC)
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117-83-9 / bis(2-butoxyethyl) benzene-1,2-dicarboxylate

BIS(2-BUTOXYETHYL) PHTHALATE | Kesscoflex BCP | Kronisol

Standard CAS: 117-83-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
117-83-9
Multi CAS
No
Molecular Formula
C20H30O6
Molecular Weight
366.400000
Exact Mass
366.204239
SMILES
CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
InChI
InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
InChIKey
CMCJNODIWQEOAI-UHFFFAOYSA-N
Synonyms
BIS(2-BUTOXYETHYL) PHTHALATE Kesscoflex BCP Kronisol Palatinol K Kesscoflex

Physical Properties

Melting Point
FP: -55 °C
Boiling Point
270 °C
Density
1.06 at 20 °C
Physical Description
Colorless liquid; [Hawley]
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
98.46
TPSA
71.06

LogP / Solubility

WLOGP
3.63
MLOGP
3.22
XLogP3
4.4
Consensus LogP
3.75
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 114 of 116 companies (only 1.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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