CAS 13894-63-8 METHYL TRANS-2-HEXENOATE, 98 molecular structure

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CAS RN: 13894-63-8

METHYL TRANS-2-HEXENOATE, 98

Product code: SSC-049108

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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: 10g, 25g, 100g, 500g
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 13894-63-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10g	≥97%	5 In Stock	Shanghai	Inquiry
25g	≥97%	5 In Stock	Shanghai	Inquiry
100g	≥97%	4 In Stock	Shenzhen	Inquiry
500g	≥97%	0 Out of Stock	Shanghai	Inquiry

13894-63-8 / methyl (E)-hex-2-enoate

Standard CAS: 13894-63-8 Multi CAS: No

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

13894-63-8

Multi CAS

Molecular Formula

C7H12O2

Molecular Weight

128.170000

Exact Mass

128.083730

SMILES

CCC/C=C/C(=O)OC

InChI

InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey

GFUGBRNILVVWIE-AATRIKPKSA-N

Physical Properties

Boiling Point

168.00 to 170.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.57

Rotatable bonds

H-bond acceptors

Molar refractivity

36.06

TPSA

26.3

LogP / Solubility

WLOGP

1.52

MLOGP

1.33

XLogP3

1.9

Consensus LogP

1.58

Log S (ESOL)

-1.39

Class (ESOL)

Soluble

Log S (Ali)

-1.71

Class (Ali)

Soluble

Log S (SILICOS-IT)

-2.11

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)

-2.43

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Flammable

Signal

Warning

GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Applications of CAS 13894-63-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 13894-63-8 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.