Dimethylolpropionic acid (HCID 78501)

Überblick

2,2-Bis(hydroxymethyl)propionic acid is a 3-hydroxy carboxylic acid.

Namen und Bezeichner

Bevorzugter Name: Dimethylolpropionic acid
IUPAC: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
Lokaler Name: 2,2-Bis(hydroxymethyl)propionsure
Englischer Name: 2,2-Bis(hydroxymethyl)propionic acid
Summenformel: C5H10O4
Molmasse: 134.13

Namen und Synonyme

2,2-Bis(hydroxymethyl)propionic acid4767-03-73-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acidDimethylolpropionic acid2,2-Bis(hydroxymethyl)propanoic acidDTXSID4027577NSC-96616.alpha.,.alpha.-Dimethylolpropionic acidUNII-4NHI8V17MNDIHYDROXYPIVALIC ACIDDTXCID607577PTBDIHRZYDMNKB-UHFFFAOYSA-

Weitere Namen anzeigen

DMPABis-MPABis(hydroxymethyl)propionic acidDiMethylol Propionic2,2-DIMETHYLOLPROPIONIC ACID2,2-Bis(methylol)propionic acid2,2-bis(hydroxymethyl)propanoicacidPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-

2,2-dihydroxymethylpropanoic acidEINECS 225-306-3DIMETHYLOLPROPIONIC ACID [MI]EC 225-306-3RefChem:134365alpha,alpha-Dimethylolpropionic acid2,2-bis(hydroxymethyl)-propionic acidDIMETHYLOLPROPIONIC ACID [INCI]

Datenbank-Bezeichner

CAS: 4767-03-7
PubChem CID: 78501
DTXSID: DTXSID4027577
ChEMBL: CHEMBL3183172
ChEBI: CHEBI:177432
UNII: 4NHI8V17MN
EC Number: 225-306-3
Nikkaji: J21.873A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,3
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 106

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Food Contact Substances · 3 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physikochemische Eigenschaften

Schmelzpunkt: 189 · 189-191 °C(lit.)
Siedepunkt: 167.23 °C · 167.23°C (rough estimate)
Dichte: 0.84 · 0.84
Dampfdichte: 1 · <1 (vs air)
Brechungsindex: 1.424 · 1.4240 (estimate)
Flammpunkt: 150 °C · >150°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 2 O: · H2O: soluble
Aggregatzustand: Crystalline Powder
pka: 4.16 · 4.16±0.15(Predicted)
Farbe: White
PH: 2.6 · 2.6 (50g/l, H2O, 20℃)
Wasserlöslichkeit: soluble
Merck: 14 · 14,3253
BRN: 1756385 · 1756385
Stabilität: Stable. Hygroscopic.
InChI: 1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)
InChIKey: PTBDIHRZYDMNKB-UHFFFAOYSA-N
SMILES: CC(CO)(CO)C(O)=O
CAS Datenbank: 4767 · 4767-03-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,2-Bis(hydroxymethyl)propionic acid(4767-03-7)
EPA chemische Informationen: Dimethylolpropionic acid (4767-03-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.8% (6 of 771) of reports.

Warning

H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 771 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-

Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13154

2,2-Bis (hydroxymethyl) propionic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (99.2%)

Sicherheitsdaten

F: 3-9
wgk: 3
tsca: TSCA listed
hs_code: 29159000
RTECS-Nr.: UA2465265
risk_code: 36/37/38-36/37
Toxizität: LD50 orally in Rabbit: > 2000 mg/kg
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2
Selbstentzündungstemperatur: >300 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2,2-bis(hydroxymethyl)propionic acid (DMPA) is a versatile organic materials. it is used as water-based polyurethane chain extender, also make the polyurethane obtained from emulsifying properties, excellent stability can be made self-emulsifying aqueous polyurethane. For preparation a photosensitive resin and liquid crystal materials; for epoxy ester coatings, polyurethane elastomers and powder coatings; Preparation of magnetic recording materials and adhesives etc..