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Basic Information
CAS No.: 103-62-8
Name: 4-(BUTYLAMINO)PHENOL
Article Data: 12
Molecular Structure:
Molecular Structure of 103-62-8 (4-(BUTYLAMINO)PHENOL)
Formula: C10H15 N O
Molecular Weight: 165.235
Synonyms: Phenol,p-(butylamino)- (6CI,7CI,8CI); 4-(Butylamino)phenol; Du Pont GasolineAntioxidant No. 5; N-Butyl-4-aminophenol; N-Butyl-p-aminophenol; NSC 404034;p-(Butylamino)phenol; p-Hydroxyphenyl-n-butylamine
Density: 1.053g/cm3
Melting Point: 70-71 °C
Boiling Point: 302.9°Cat760mmHg
Flash Point: 128.9°C
Safety: Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx.
PSA: 32.26000
LogP: 2.67720
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Chemistry

Molecule structure of 4-(Butylamino)phenol (CAS NO.103-62-8) :

IUPAC Name: 4-(butylamino)phenol 
Molecular Weight: 165.2322 g/mol
Molecular Formula: C10H15NO
Density: 1.053 g/cm3 
Boiling Point: 302.9 °C at 760 mmHg 
Flash Point: 128.9 °C
Molar Volume: 156.8 cm3
Polarizability: 20.47*10-24 cm3
Surface Tension: 42.5 dyne/cm 
Enthalpy of Vaporization: 56.48 kJ/mol 
log P (octanol-water): 2.270
Water Solubility: 753 mg/L
Vapor Pressure: 7.65E-04 mm Hg
Henry's Law Constant: 1.02E-09 atm-m3/mole
Atmospheric OH Rate Constant: 6.82E-11 cm3/molecule-sec
XLogP3-AA: 2.8
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 165.115364
MonoIsotopic Mass: 165.115364
Topological Polar Surface Area: 32.3
Heavy Atom Count: 12
Complexity: 108
Canonical SMILES: CCCCNC1=CC=C(C=C1)O
InChI: InChI=1S/C10H15NO/c1-2-3-8-11-9-4-6-10(12)7-5-9/h4-7,11-12H,2-3,8H2,1H3
InChIKey: VAMBUGIXOVLJEA-UHFFFAOYSA-N
EINECS: 203-129-2

Toxicity Data With Reference

1.    

orl-rat LDLo:450 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0533716 .
2.    

skn-gpg LD50:>5 g/kg

     RCTEA4    Rubber Chemistry and Technology. 45 (1972),627.

Safety Profile

Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx.

Specification

 4-(Butylamino)phenol (CAS NO.103-62-8) is also called 3-13-00-01014 (Beilstein Handbook Reference) ; AI3-16924 ; BRN 2690441 ; Du Pont Gasoline Antioxidant No. 5 ; N-Butyl-p-aminophenol ; N-Butylated-para-aminophenol ; N-n-Butyl-p-aminophenol ; NSC 404034 ; Phenol, p-(butylamino)- ; Tenamene 1 ; p-(Butylamino)phenol ; p-Hydroxyphenyl-n-butylamine . 4-(Butylamino)phenol (CAS NO.103-62-8) is moderate toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.