3-Hydroxypivalinsure
3-Hydroxy-2,2-dimethylpropionic acid
Grundinformationen
- CAS
4835-90-9- Standard-SMILES
CC(C)(CO)C(=O)O- InChIKey
RDFQSFOGKVZWKF-UHFFFAOYSA-N- Summenformel
- C5H10O3
- Durchschnittliche Molmasse
- 118,13 g/mol
- Monoisotopische Masse
- 118,06299418
Überblick
Hydroxypivalic acid has been reported in Nicotiana tabacum with data available.
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxy-2,2-dimethylpropionic acid
- IUPAC
- 3-hydroxy-2,2-dimethylpropanoic acid
- Lokaler Name
- 3-Hydroxypivalinsure
- Englischer Name
- 3-Hydroxypivalic acid
- Summenformel
- C5H10O3
- Molmasse
- 118.13
Namen und Synonyme
4835-90-93-Hydroxy-2,2-dimethylpropanoic acidHydroxypivalic acid3-Hydroxy-2,2-dimethylpropionic acidPropanoic acid, 3-hydroxy-2,2-dimethyl-UNII-BJP2CXK56PBJP2CXK56PEINECS 225-419-82,2-dimethyl-3-hydroxypropanoic acidHYDROXY PIVALIC ACIDNSC 115936NSC-115936
Weitere Namen anzeigen
2,2-DIMETHYL-3-HYDROXYPROPIONIC ACIDTHYODIGLYCOLBETA-THIODIGLYCOL3-HydroxypivalicaciTHIODIETHYLENE GLYCOL3-Hydroxypivalic acidHydroxypivalicAcid>2,2'-THIO-BIS[ETHANOL]
DTXSID40636162,2-DIMETHYLHYDRACRYLIC ACIDHYDRACRYLIC ACID, 2,2-DIMETHYL-.ALPHA.,.ALPHA.-DIMETHYL-.BETA.-HYDROXYPROPIONIC ACIDRefChem:94092DTXCID1040617ALPHA,ALPHA-DIMETHYL-BETA-HYDROXYPROPIONIC ACID225-419-8
Datenbank-Bezeichner
- CAS
4835-90-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 95,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 16 °C · −16 °C(lit.)
- Siedepunkt
- 164 · 164-166 °C20 mm Hg(lit.)
- Dichte
- 1.221 g/mL · 1.221 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.446 Pa · 0.446Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.5215(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly, Heated), Methanol (Slightly)
- Aggregatzustand
- powder to crystal
- pka
- 4.55 · 4.55±0.10(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 1747025 · 1747025
- LogP
- -0.02 · -0.02
- CAS Datenbank
- 4835 · 4835-90-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (40.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 31-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22481
Propanoic acid, 3-hydroxy-2,2-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (40.4%)
Sicherheitsdaten
- F
- 3-13-23
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2918.19.9000
- RTECS-Nr.
- KM2975000
- risk_code
- 36-41-37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPropanoic acid, 3-hydroxy-2,2-dimethyl-: ACTIVE
Anwendungen
Verwenden3-Hydroxy-2,2-dimethylpropionic acid is used as pharmaceutical intermediate.
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