Octan-2-yl cyanoacetate
Grundinformationen
- CAS
52688-08-1- Standard-SMILES
CCCCCCC(C)OC(=O)CC#N- InChIKey
UHQCFCZBVFECRZ-UHFFFAOYSA-N- Summenformel
- C11H19NO2
- Durchschnittliche Molmasse
- 197,27 g/mol
- Monoisotopische Masse
- 197,14157885
Namen und Bezeichner
- Bevorzugter Name
- Octan-2-yl cyanoacetate
- IUPAC
- octan-2-yl 2-cyanoacetate
- Englischer Name
- 2-Octyl cyanoacetate
- Summenformel
- C11H19NO2
- Molmasse
- 197.27
Namen und Synonyme
Acetic acid, cyano-, 1-methylheptyl ester1-Methylheptyl cyanoacetateOctan-2-yl cyanoacetateDTXSID20967126EC 610-886-6RefChem:855919DTXCID001394731610-886-6octan-2-yl 2-cyanoacetate52688-08-12-Octyl cyanoacetateMFCD00236390
Weitere Namen anzeigen
2-OCYAsec-Octylcyanate2-OCTYL CYANOACETATE 98.0+%
2-Octyl 2-CyanoacetateAcetic acid, 2-cyano-,1-methylheptyl esterCyanoacetic acid 1-methylheptyl estersec-Octyl cyanoacetate1-methylheptyl 2-cyanoacetate2-cyanodecanoateoctan-2-yl2-cyanoacetateCyanoacetic acid isooctyl ester
Datenbank-Bezeichner
- CAS
52688-08-1- PubChem CID
- 142946
- DTXSID
DTXSID20967126- EC Number
- 610-886-6
- Nikkaji
- J3.791.324C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 50,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 205
Physikochemische Eigenschaften
- Siedepunkt
- 241.4 · 241.4±8.0 °C(Predicted)
- Dichte
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.94 · 2.94±0.10(Predicted)
- InChI
- InChI=1S/C11H19NO2/c1-3-4-5-6-7-10(2)14-11(13)8-9-12/h10H,3-8H2,1-2H3
- InChIKey
- UHQCFCZBVFECRZ-UHFFFAOYSA-N
- SMILES
- C(OC(C)CCCCCC)(=O)CC#N
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 83.3% (15 of 18) of all reports.
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
REACH registered substance: octan-2-yl cyanoacetate (EC: 610-886-6)
Acetic acid, cyano-, 1-methylheptyl ester: 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 CategoriesAcute Tox. 4 (16.7%)
Sicherheitsdaten
- ridadr
- UN3276
- hazard_class
- 6.1
Chemie und Industrie
Anwendungen
Verwenden2-Octyl cyanoacetate is the main raw material for the synthesis of α-cyanoacrylate adhesives. α-Cyanoacrylate adhesives are the earliest discovered and most widely used tissue adhesives.
Darstellung
synthetische2-Octyl cyanoacetate was obtained by direct esterification of cyanoacetic acid with octan-2-ol in a 1:1 molar ratio in the presence of two/three drops of 2% concentrated sulphuric acid as a catalyst and toluene as solvent, to allow for the azeotropic removal of the reaction water.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
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