Grundinformationen
- Standard-SMILES
CCCCOCCOC(=O)c1ccccc1- InChIKey
NMBQBIACXMPEQB-UHFFFAOYSA-N- Summenformel
- C13H18O3
- Durchschnittliche Molmasse
- 222,28 g/mol
- Monoisotopische Masse
- 222,12559443
Namen und Bezeichner
- Bevorzugter Name
- 2-Butoxyethyl benzoate
- IUPAC
- 2-butoxyethyl benzoate
- Lokaler Name
- 2-Butoxyethylbenzoat
- Englischer Name
- 2-ISOBUTOXYETHYL BENZOATE
- Summenformel
- C13H18O3
- Molmasse
- 222.28
Namen und Synonyme
2-Butoxyethyl benzoateEthanol, 2-butoxy-, 1-benzoateAI3-30512NMBQBIACXMPEQB-UHFFFAOYSA-DTXSID50863546EINECS 226-685-8NSC 21857RefChem:86009DTXCID60812146226-685-8InChI=1/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3NMBQBIACXMPEQB-UHFFFAOYSA-N
Weitere Namen anzeigen
2-butoxy-ethanobenzoateISOBUTYL GLYCOL BENZOATEEthyl 2-isobutoxybenzoateISOBUTYL CELLOSOLVE BENZOATEBenzoic acid 2-butoxyethyl esterBENZOIC ACID 2-ISOBUTOXYETHYL ESTER
5451-76-32-ISOBUTOXYETHYL BENZOATE2-Butoxyethanol benzoateEthanol, 2-butoxy-, benzoateBenzoic acid, 2-butoxyethyl esterEthanol, 2-butoxy-,1-benzoateGXR433LN7TNSC-21857
Datenbank-Bezeichner
- CAS
5451-76-3- PubChem CID
- 79543
- DTXSID
DTXSID50863546- UNII
- GXR433LN7T
- EC Number
- 226-685-8
- Nikkaji
- J210.500D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 186
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 156.5 · 156.5-157.0 °C(Press: 14.5 Torr)
- Dichte
- 1.0277 g/cm3 · 1.0277 g/cm3(Temp: 25 °C)
- Dampfdruck
- 0.028 Pa · 0.028Pa at 20℃
- Wasserlöslichkeit
- 106 mg/L · 106mg/L at 20℃
- LogP
- 3.77 at · 3.77 at 30℃
- EPA chemische Informationen
- 2 · Ethanol, 2-butoxy-, benzoate (5451-76-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H411 (95.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065
Hazard Classes and CategoriesAcute Tox. 4 (96.3%)；Aquatic Chronic 2 (95.4%)
Regulatorische Informationen
Regulatory Information
Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <8,500,000 lb；2022: 75,000 - <500,000 lb；2021: 75,000 - <500,000 lb；2020: <75,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2-butoxy-, 1-benzoate: ACTIVE
Anbieter20 Anbieter
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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