CAS 17851-53-5 butyl isobutyl phthalate molecular structure

lightbox

CAS RN: 17851-53-5

butyl isobutyl phthalate

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock3 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20260407	1g	In stock	Inquiry
Batchno.20260406	250mg	In stock	Inquiry
Batchno.20260408	5g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260514	1g	In stock	Shanghai	Inquiry
Batchno.20251005	250mg	In stock	Shanghai	Inquiry
Batchno.20251011	5g	Out of stock		Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251007	250mg / 1g / 5g	Confirm by inquiry	Shanghai, Shandong, Guangdong	8-10 business days	Inquiry

Product code: SSC-079332

GET A QUOTE

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

Request Bulk Quote

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

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

Aromatic heavy atom count

Fraction Csp3

0.5

Rotatable bonds

H-bond acceptors

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

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

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

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

Applications of CAS 17851-53-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 17851-53-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate

Safety Information (GHS)

Pictogram(s): GHS07, GHS08, GHS09. Signal word: Danger.

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]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary statements: P203, P261, P271, P273, P280, P304+P340, P318, P319, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.