CAS 557-00-6 Propyl isovalerate molecular structure

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CAS RN: 557-00-6

Propyl isovalerate

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4 package records4 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250823	100ml	In stock	Inquiry
Batchno.20250216	25ml	In stock	Inquiry
Batchno.20250311	500ml	In stock	Inquiry
Batchno.20260311	5ml	In stock	Inquiry

Product code: SSC-163629

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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: 10ml
Available purity: >97%
Inventory rows with stock: 1
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 557-00-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10ml	>97%	1 In Stock	Shenzhen	Inquiry

557-00-6 / propyl 3-methylbutanoate

Standard CAS: 557-00-6 Multi CAS: No

Basic Information Physical Properties Computed Properties

Basic Information

CAS

557-00-6

Multi CAS

Molecular Formula

C8H16O2

Molecular Weight

144.210000

Exact Mass

144.115030

InChI

InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3

InChIKey

LSJMDWFAADPNAX-UHFFFAOYSA-N

Physical Properties

Boiling Point

156.00 to 157.00 °C. @ 760.00 mm Hg

Density

0.860 - 0.866

Physical Description

colourless, mobile liquid/fruity odour

State

Liquid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.88

Rotatable bonds

H-bond acceptors

Molar refractivity

40.71

TPSA

26.3

LogP / Solubility

WLOGP

1.99

MLOGP

1.74

XLogP3

2.3

Consensus LogP

2.01

Log S (ESOL)

-1.72

Class (ESOL)

Soluble

Log S (Ali)

-2.18

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.73

Class (SILICOS-IT)

Moderately 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)

-2.19

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 557-00-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 557-00-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

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.