CAS 97-65-4 Itaconic Acid molecular structure

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CAS RN: 97-65-4

Itaconic Acid

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12 package records11 with current stock4 grade groups

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251207	1ml	Out of stock		8-10 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250120	100g / 500g / 2.5kg / 10kg / 25kg	Confirm by inquiry	Shanghai, Shandong, Guangdong, Chongqing, Hebei	5-7 business days	Inquiry

Batch No.	Package	Availability	Inquiry
Batchno.20251109	10kg	In stock	Inquiry
Batchno.20250115	2.5kg	In stock	Inquiry
Batchno.20250909	250g	In stock	Inquiry
Batchno.20251124	25g	In stock	Inquiry
Batchno.20250621	500g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250723	100g	In stock	Shanghai, Shandong, Chongqing, Hebei	Inquiry
Batchno.20251028	12X500g	In stock	Shanghai, Shandong	Inquiry
Batchno.20250422	20kg	In stock	Shandong	Inquiry
Batchno.20251210	500g	In stock	Shanghai, Shandong, Guangdong, Chongqing	Inquiry
Batchno.20251218	5kg	In stock	Shanghai, Shandong, Guangdong	Inquiry

Product code: SSC-212174

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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: 100g, 500g, 1000g
Available purity: ≥98%
Inventory rows with stock: 1
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 97-65-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
100g	≥98%	5 In Stock	Shanghai	Inquiry
500g	≥98%	0 Out of Stock	Shenzhen	Inquiry
1000g	≥98%	0 Out of Stock	Hong Kong	Inquiry

97-65-4 / 2-methylidenebutanedioic acid

Standard CAS: 97-65-4 Multi CAS: Yes

Basic Information Physical Properties Computed Properties

Basic Information

CAS

97-65-4

Multi CAS

Yes

Molecular Formula

C5H6O4

Molecular Weight

130.100000

Exact Mass

130.026609

InChI

InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)

InChIKey

LVHBHZANLOWSRM-UHFFFAOYSA-N

Physical Properties

Melting Point

162-164 °C WITH DECOMP, ALSO REPORTED AS 172 °C 175 °C

Boiling Point

268 °C, SUBLIMES

Density

1.632

Physical Description

Pellets or Large Crystals; Other Solid; Dry Powder Hygroscopic solid; White crystalline powder; Solid

Appearance

RHOMBIC CRYSTALS FROM BENZENE WHITE CRYSTALS

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.2

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

29.03

TPSA

74.6

LogP / Solubility

WLOGP

0.1

MLOGP

0.08

XLogP3

-0.1

Consensus LogP

0.03

Log S (ESOL)

-0.51

Class (ESOL)

Very soluble

Log S (Ali)

-0.7

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.95

Class (SILICOS-IT)

Very 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)

-3.44

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 97-65-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 97-65-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

2-methylidenebutanedioic acid

Safety Information (GHS)

Pictogram(s): GHS05, GHS07. Signal word: Danger.

H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (77.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (14.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (16%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, 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: Store under inert gas. Avoid: Hygroscopic. 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.