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4-Butyloxybenzal-4-ethylaniline

HCID 34683
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
29743-15-5
Standard SMILES
CCCCOc1ccc(C=Nc2ccc(CC)cc2)cc1
InChIKey
AUVREZVTBBIYLI-UHFFFAOYSA-N
Molecular formula
C19H23NO
Average molar mass
281.4 g/mol
Monoisotopic mass
281.17796436

Overview

4-butyloxybenzal-4-ethylaniline is an off-white powder. (NTP, 1992)

Names & identifiers

Preferred name
4-Butyloxybenzal-4-ethylaniline
IUPAC
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine
English name
P-BUTOXYBENZYLIDENE P-ETHYLANILINE
Molecular formula
C19H23NO
Molecular weight
281.39

Names & synonyms

29743-15-54-Butyloxybenzal-4-ethylaniline4-Butyloxybenzal-4'-ethylanilineCCRIS 5987DTXSID4024698NSC 171003Benzenamine, N-((4-butoxyphenyl)methylene)-4-ethyl-RefChem:520642DTXCID504698P-BUTOXYBENZYLIDENE-P-ETHYLANILINEN-(4-BUTOXYBENZAL)-4-ETHYLANILINEP-BUTOXYBENZYLIDENE-P'-ETHYLANILINE
Show more names
TIMTEC-BB SBB007899N--4'-ethylaniline(E)-1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimineBenzenamine, N-[(4-butoxyphenyl)methylene]-4-ethyl-
4-BUTOXYBENZYLIDENE-4'-ETHYLANILINEANILINE, N-(P-BUTOXYBENZYLIDENE)-P-ETHYL-N-(P-N-BUTOXYBENZYLIDENE)-P-N-ETHYLANILINE4-BUTOXYBENZALDEHYDE N-(4-EHTYLPHENYL)IMINE4-BUTOXYBENZALDEHYDE N-(4-ETHYLPHENYL)IMINEp-Butoxybenzylidene p-ethylaniline1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimineMFCD00038501

Database identifiers

CAS
29743-15-5
PubChem CID
34683
DTXSID
DTXSID4024698
Nikkaji
J159.729I

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
21.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
286

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point104.9 °F (Turbid) (NTP, 1992)
Physical Description4-butyloxybenzal-4-ethylaniline is an off-white powder. (NTP, 1992)

Physicochemical properties

Melting point
47 °C · 47 °C
Boiling point
417.1 · 417.1±38.0 °C(Predicted)
Density
0.96 · 0.96±0.1 g/cm3(Predicted)
pka
4.23 · 4.23±0.50(Predicted)
EPA Substance Registry System
4 · 4-Butyloxybenzal-4-ethylaniline (29743-15-5)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

An aldehyde and amine. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Air and Water ReactionsThis chemical is sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water.

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Chemistry & industry

Applications

General DescriptionOff-white powder.

Suppliers3 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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