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CAS No.: | 107746-52-1 |
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Name: | 3-[3,5-Di(tert-butyl)-4-hydroxybenzylidene]-1-methoxypyrrolidin-2-one |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C20H29 N O3 |
Molecular Weight: | 331.50 |
Synonyms: | E 5110 |
Density: | 1.1g/cm3 |
Boiling Point: | 409.2°Cat760mmHg |
Flash Point: | 201.2°C |
Hazard Symbols: | A poison by ingestion. |
Safety: | A poison by ingestion, intraperitoneal, and parenteral routes. When heated to decomposition it emits toxic vapors of NOx. |
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IUPAC Name: (3E)-3-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylidene]-1-methoxypyrrolidin-2-one
Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2CCN(C2=O)OC
Isomeric SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCN(C2=O)OC
InChI: InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
InChIKey: NJTQENWDJVHUOX-GXDHUFHOSA-N
Empirical Formula: C20H29NO3
Molecular Weight: 331.4492
Index of Refraction: 1.556
Density: 1.1 g/cm3
Flash Point: 201.2 °C
Enthalpy of Vaporization: 68.7 kJ/mol
Boiling Point: 409.2 °C at 760 mmHg
Vapour Pressure of E 5110 (CAS NO.107746-52-1): 2.8E-07 mmHg at 25 °C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 805mg/kg (805mg/kg) | United States Patent Document. Vol. #4833160, | |
mouse | LD50 | oral | 2gm/kg (2000mg/kg) | United States Patent Document. Vol. #4833160, | |
mouse | LD50 | parenteral | > 4gm/kg (4000mg/kg) | United States Patent Document. Vol. #4833160, | |
rat | LD50 | intraperitoneal | 47mg/kg (47mg/kg) | United States Patent Document. Vol. #4833160, | |
rat | LD50 | oral | 161mg/kg (161mg/kg) | United States Patent Document. Vol. #4833160, | |
rat | LD50 | parenteral | 291mg/kg (291mg/kg) | United States Patent Document. Vol. #4833160, |
A poison by ingestion, intraperitoneal, and parenteral routes. When heated to decomposition E 5110 (CAS NO.107746-52-1) emits toxic vapors of NOx.
E 5110 , its cas register number is 107746-52-1. It also can be called 3-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy-2-pyrrolidinone ; 2-Pyrrolidinone, 3-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy- ; and N-Methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-pyrrolidone .