Grundinformationen
- Standard-SMILES
CC(C)(C)c1cc(C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)ccc1O- InChIKey
JOWXNCPELQZFHF-UHFFFAOYSA-N- Summenformel
- C50H66O8
- Durchschnittliche Molmasse
- 795,1 g/mol
- Monoisotopische Masse
- 794,47576906
Namen und Bezeichner
- Bevorzugter Name
- Butyric acid, 3,3-bis(3-tert-butyl-4-hydroxyphenyl)ethylene ester
- IUPAC
- 2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]ethyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
- Lokaler Name
- Ethylenbis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrat]
- Englischer Name
- ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]
- Summenformel
- C50H66O8
- Molmasse
- 795.05
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
32509-66-3- PubChem CID
- 122891
- DTXSID
DTXSID9052006- UNII
- 2IRE6XVP1D
- EC Number
- 251-073-2
- Nikkaji
- J106.082A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 13,1
- Polarare Oberfläche (TPSA)
- 134 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 58
- Formalladung
- 0
- Komplexität
- 1.170
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80 - 85°C
- Siedepunkt
- 802.7 · 802.7±60.0 °C(Predicted)
- Dichte
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.96 · 9.96±0.10(Predicted)
- Farbe
- White to Light Yellow
- Wasserlöslichkeit
- 500 μg/L · 500μg/L at 20℃
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- JOWXNCPELQZFHF-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1cc(ccc1O)C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(c2)C(C)(C)C)c3ccc(O)c(c3)C(C)(C)C)c4ccc(O)c(c4)C(C)(C)C
- LogP
- 13.7 at · 13.7 at 25℃
- EPA chemische Informationen
- 3 · Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl ester (32509-66-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (60 of 60) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 60 of 60 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 60 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 60 of 60 reports by companies.;There are 0 notifications provided by 0 of 60 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1â²-(1,2-ethanediyl) ester
Regulation (EC) No 1935/2004 (amended)
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) 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: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28053
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-3-(1,1-dimethylethyl)-4-hydroxyphenyl-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Chemical: Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1â²-(1,2-ethanediyl) ester
Regulation (EC) No 1935/2004 (amended)
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) 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: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28053
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-3-(1,1-dimethylethyl)-4-hydroxyphenyl-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- WGK 1
- tsca
- TSCA listed
- hs_code
- 2918290000
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Product Manufacturing;Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Construction
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester: ACTIVE
Anwendungen
VerwendenHostanox 03 is commonly used in the stabilization of polymers as its resistant to a high resistance to hydrolysis and high temperatures.
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