Itaconic acid

Poly(itaconic acid) · itaconicacidpolymers · ITACONIC ACID POLYMER · itaconic acid homopolymer · poly(2-methylenesuccinicacid) · methylenesuccinicacidpolymers · methylene-butanedioicacihomopolymer

https://huagongshe.com/de/chemical/811

Identifikatoren & physikalische Daten

CAS No.	25119-64-6
Summenformel	C5H6O4
Durchschnittliche Molmasse	130,1 g/mol
Monoisotopische Masse	130,02660867 g/mol
SMILES	C=C(CC(=O)O)C(=O)O
InChIKey	LVHBHZANLOWSRM-UHFFFAOYSA-N
PubChem CID	811
ChEMBL	CHEMBL359159
ChEBI	CHEBI:30838
EC No.	202-599-6
DTXSID	DTXSID2026608

Chemische & physikalische Eigenschaften

XLogP	-0,1
Polarare Oberfläche (TPSA)	74,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	9
Formalladung	0
Komplexität	158
Lipide	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Polymers	Plastics & Rubber -> Other Monomers
SpringerMaterials Properties	Crystal structure
Geruch	CHARACTERISTIC ODOR
Dichte	1.632
Color/Form	RHOMBIC CRYSTALS FROM BENZENEWHITE CRYSTALS
Löslichkeit	1 G DISSOLVES IN 12 ML WATER, 5 ML ALCVERY SLIGHTLY SOL IN BENZENE, CHLOROFORM, CARBON DISULFIDE, PETROLEUM ETHERSOL IN ACETONE76.8 mg/mL at 20 °C
Siedepunkt	268 °C, SUBLIMES
Schmelzpunkt	162-164 °C WITH DECOMP, ALSO REPORTED AS 172 °C175 °C
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	LiquidLarge CrystalsDry PowderOther SolidHygroscopic solid[Merck Index] White crystalline powder[MSDSonline]
Dissociation Constants	ACID DISSOCIATION CONSTANTS: 3.84 & 5.55
pKa (Säurekonstante)	3.85 (pKa1)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 5.9% (33 of 555) of reports.DangerH315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]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)Aggregated GHS information provided per 555 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Butanedioic acid, methylene-Butanedioic acid, 2-methylene- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 2-methylene- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 27-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14392Methylenesuccinic acid: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Butanedioic acid, methylene-: Environment tier I assessment
Gefahrenübersicht	Corrosive to eyes[eChemPortal: ERMA] Oral LD50 (rat) = 2969 mg/kgNOEL = 500 mg/kg/d (highest dose tested) for oral repeated dose testing of rats for 4 weeks[eChemPortal: SIDSUNEP] An irritant[MSDSonline]
Hazard Classes and Categories	Skin Irrit. 2 (14.8%)Serious eye damage/eye irritation - Category 1
Human Toxicity Excerpts	IT IS PROBABLY MILD IRRITANT.
Non-Human Toxicity Excerpts	...IT MAY INHIBIT UTILIZATION OF SUCCINIC ACID WHEN FED IN RELATIVELY LARGE DOSES TO RATS. 1% IN THE DIET OF RATS CAUSED SLOW GROWTH. A SINGLE LARGE ORAL DOSE CAUSES AN INCREASED OUTPUT OF SUCCINIC ACID IN RABBIT URINE.ITACONIC ACID RETARDED GROWTH OF PEAS, INHIBITED CHLOROPHYLL DESTRUCTION & CHLOROPHYLLASE ACTIVITY IN RADISH LEAF DISKS, & HASTENED FLOWERING & RIPENING OF TOMATOES.