Grundinformationen
- Standard-SMILES
CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1- InChIKey
LQLQDKBJAIILIQ-UHFFFAOYSA-N- Summenformel
- C16H22O4
- Durchschnittliche Molmasse
- 278,34 g/mol
- Monoisotopische Masse
- 278,15180918
Namen und Bezeichner
- Bevorzugter Name
- Dibutyl terephthalate
- IUPAC
- dibutyl benzene-1,4-dicarboxylate
- Lokaler Name
- Dibutylterephthalat
- Englischer Name
- dibutyl terephthalate
- Summenformel
- C16H22O4
- Molmasse
- 278.34
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1962-75-0- PubChem CID
- 16066
- DTXSID
DTXSID3022168- ChEBI
CHEBI:180625- UNII
- 7O6SH6VN97
- EC Number
- 217-803-9
- Nikkaji
- J61.324J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 263
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 16 ℃ · 16℃
- Siedepunkt
- 381.16 °C · 381.16°C (rough estimate)
- Dichte
- 1.053 · 1.053
- Brechungsindex
- 1.463 · 1.463 (45 ºC)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- Wasserlöslichkeit
- 5 μg/L · 5μg/L at 25℃
- InChI
- InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
- InChIKey
- LQLQDKBJAIILIQ-UHFFFAOYSA-N
- SMILES
- C1(C(OCCCC)=O)=CC=C(C(OCCCC)=O)C=C1
- EPA chemische Informationen
- Dibutyl terephthalate (1962-75-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.5% (117 of 120) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 117 of 120 companies (only 2.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 120 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 117 of 120 reports by companies.;There are 2 notifications provided by 3 of 120 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
1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 1,4-dibutyl 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 25-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12538
Regulatorische Informationen
Regulatory Information
1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 1,4-dibutyl 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 25-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12538
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Plastics -> Polymer Type -> PUR; PVC (soft)
Plastics -> Plasticisers
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester: ACTIVE
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