3-Hydroxy-2,2-dimethylpropyl-3-hydroxy-2,2-dimethylpropionat
3-Hydroxy-2,2-dimethylpropyl hydroxypivalate
Grundinformationen
- CAS
1115-20-4- Standard-SMILES
CC(C)(CO)COC(=O)C(C)(C)CO- InChIKey
SZCWBURCISJFEZ-UHFFFAOYSA-N- Summenformel
- C10H20O4
- Durchschnittliche Molmasse
- 204,26 g/mol
- Monoisotopische Masse
- 204,13615912
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxy-2,2-dimethylpropyl hydroxypivalate
- IUPAC
- (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate
- Lokaler Name
- 3-Hydroxy-2,2-dimethylpropyl-3-hydroxy-2,2-dimethylpropionat
- Englischer Name
- NEOPENTYL GLYCOL MONO(HYDROXYPIVALATE)
- Summenformel
- C10H20O4
- Molmasse
- 204.26
Namen und Synonyme
1115-20-43-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoateHydroxypivalic acid neopentyl glycol esterEsterdiol 204Hydroxyneopentyl hydroxypivalate3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionateNeopentyl glycol monohydroxypivalate3-(Hydroxypivaloyloxy)-2,2-dimethylpropanol3-HYDROXY-2,2-DIMETHYLPROPYL HYDROXYPIVALATEEster diol 204DTXSID4027361HSDB 5783
Weitere Namen anzeigen
HPHPHPNEesterdiol204HYDROXYPIVALAYENEOPENTYLGLYCOLMONO3-hydroxy-2,2-dimethylpropyhydroxypivalylhydroxypivalatehydroxyneopentylhydroxypivalateNEOPENTYL GLYCOL MONO(HYDROXYPIVALATE)Hydroxypivalinsureneopentylglycolester
Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl esterCG0A37GAHJNeopental glycol monohydroxypivalateEINECS 214-222-23-Hydroxy-2,2-dimethylpropyl 2,2-dimethylhydracrylateHydracrylic acid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester2,2-Dimethyl-1,3-propanediol Mono(hydroxypivalate)DTXCID507361
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 196
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Organic Compounds
Physical Description
Liquid
Solid; [IUCLID] White odorless solid; [MSDSonline]
Collision Cross Section151.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4027361]
Physikochemische Eigenschaften
- Schmelzpunkt
- 46 · 46-50°C
- Siedepunkt
- 292 °C · 292°C
- Dichte
- 1.01 · 1.01
- Flammpunkt
- 292 °C · 292°C
- Löslichkeit
- Soluble in methanol(almost transparency).
- pka
- 14.15 · 14.15±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wasserlöslichkeit
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
This chemical does not meet GHS hazard criteria for 1.3% (5 of 383) of reports.
Danger
H318 (49.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 383 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester
Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester 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: 02-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11791
Other Safety InformationIMAP assessments - Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester: Environment tier I assessment
Hazards SummaryAn eye irritant, based on animal studies; [IUCLID] An eye irritant; [MSDSonline]
Hazard Classes and CategoriesEye Dam. 1 (49.6%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to modify polyesters in automotive coatings; [Ullmann]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester: ACTIVE
Anwendungen
BeschreibungNeopentyl Glycol Mono(hydroxypivalate) is also known as Hydroxypivalic acid neopentyl glycol ester (HPN). The compound has properties similar to neopentyl glycol but in addition specific characteristics that are responsible for its increasing use. Manufacturers are Eastman Chemical, BASF, and Mitsubishi Gas. World capacity is estimated at 2000 – 2500 t/a. It is highly soluble in polar organic solvents. Both hydroxyl groups undergo the usual reactions of primary alcohols. As with neopentyl glycol, the quaternary structure contributes to the excellent stability of HPN derivatives.
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
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