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Cas Database |
| Name |
4-(2,4-Di-tert-amylphenoxy)-butylamine |
EINECS | 257-550-1 |
| CAS No. | 51959-14-9 | Density | 0.917 g/cm3 |
| PSA | 35.25000 | LogP | 5.87980 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H35NO | Boiling Point | 401 °C at 760 mmHg |
| Molecular Weight | 305.504 | Flash Point | 171.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-(2,4-Di-tert-amylphenoxy)butylamine;4-(2,4-Di-tert-pentylphenoxy)butylamine;d-(2,4-Di-tert-amylphenoxy)butylamine; |
Article Data | 2 |
4-(2,4-Di-tert-amylphenoxy)-butylamine Chemical Properties
IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-amine
Empirical Formula: C20H35NO
Molecular Weight: 305.498
EINECS: 257-550-1
Structure of 1-Butanamine,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS NO.51959-14-9):
Index of Refraction: 1.49
Molar Refractivity: 96.4 cm3
Molar Volume: 333 cm3
Polarizability: 38.21×10-24cm3
Surface Tension: 31.3 dyne/cm
Density: 0.917 g/cm3
Flash Point: 171.7 °C
Enthalpy of Vaporization: 65.19 kJ/mol
Boiling Point: 401 °C at 760 mmHg
Vapour Pressure: 1.22E-06 mmHg at 25°C
Product Categories: BUILDING BLOCKS
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCCN)C(C)(C)CC
InChI: InChI=1S/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3
InChIKey: OZYOAOYHMMDTNZ-UHFFFAOYSA-N
4-(2,4-Di-tert-amylphenoxy)-butylamine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 5gm/kg (5000mg/kg) | National Technical Information Service. Vol. OTS0555261, | |
| mouse | LD50 | oral | 800mg/kg (800mg/kg) | National Technical Information Service. Vol. OTS0555261, | |
| rat | LD50 | oral | 800mg/kg (800mg/kg) | National Technical Information Service. Vol. OTS0555261, |
4-(2,4-Di-tert-amylphenoxy)-butylamine Specification
1-Butanamine,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- , its cas register number is 51959-14-9. It also can be called 4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-butanamine ; 4-(2,4-Di-t-pentylphenoxy)butylamine .
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