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CAS 131-20-4 Bis(6-methylheptyl) Phthalate molecular structure lightbox
CAS RN: 131-20-4

Bis(6-methylheptyl) Phthalate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 100mg In stock Shanghai Inquiry
Batchno.20260317 10g In stock Shanghai Inquiry
Batchno.20250128 1g In stock Shanghai Inquiry
Batchno.20260227 250mg In stock Shanghai Inquiry
Batchno.20250113 5g In stock Shanghai Inquiry
  • Product code: SSC-037602
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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: ≥95%
  • 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 131-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

131-20-4 / bis(6-methylheptyl) benzene-1,2-dicarboxylate

Standard CAS: 131-20-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
131-20-4
Multi CAS
No
Molecular Formula
C24H38O4
Molecular Weight
390.600000
Exact Mass
390.277010
SMILES
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
InChI
InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChIKey
IJFPVINAQGWBRJ-UHFFFAOYSA-N

Physical Properties

Melting Point
-4 °C /From Table/ -45 °C
Boiling Point
1288 °F at 760 mmHg (USCG, 1999) 370 °C
Density
0.980-0.983 at 20 °C/20 °C Bulk density: Wt/gal = 8.20 lb at 20 °C Relative density (water = 1): 0.99
Physical Description
Di-isooctyl phthalate is an oily colorless liquid with a slight ester odor. Denser than water. Insoluble in water. (USCG, 1999) Liquid Nearly colorless viscous liquid; [Hawley] Clear colorless viscous liquid; COLOURLESS VISCOUS LIQUID.
Appearance
Nearly colorless, viscous liquid
State
Liquid

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
8.5
Consensus LogP
6.87
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H360 (84.7%): May damage fertility or the unborn child [Danger Reproductive toxicity] H413 (98.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] H360: May damage fertility or the unborn child [Danger Reproductive toxicity] H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P280, P318, P405, and P501 P203, P273, P280, P318, P405, and P501

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