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CAS 17851-53-5 butyl isobutyl phthalate molecular structure lightbox
CAS RN: 17851-53-5

butyl isobutyl phthalate

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260407 1g In stock Inquiry
Batchno.20260406 250mg In stock Inquiry
Batchno.20260408 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260514 1g In stock Shanghai Inquiry
Batchno.20251005 250mg In stock Shanghai Inquiry
Batchno.20251011 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251007 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong 8-10 business days Inquiry
  • Product code: SSC-079332
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17851-53-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Beijing Inquiry

17851-53-5 / 1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate

Standard CAS: 17851-53-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17851-53-5
Multi CAS
No
Molecular Formula
C16H22O4
Molecular Weight
278.340000
Exact Mass
278.151809
SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChI
InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey
UVIVWIFUPKGWGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
76.75
TPSA
52.6

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
4.8
Consensus LogP
3.77
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly 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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H336 (50%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H360 (50%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360FD (50%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P261, P271, P273, P280, P304+P340, P318, P319, P391, P403+P233, P405, and P501

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