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o-Heptylphenol

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Name

o-Heptylphenol

EINECS N/A
CAS No. 5284-22-0 Density 0.946g/cm3
PSA 20.23000 LogP 3.90510
Solubility 11.76mg/L(25 oC) Melting Point 24°C (estimate)
Formula C13H20O Boiling Point 287.8°Cat760mmHg
Molecular Weight 192.301 Flash Point 153°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes N/A
Molecular Structure Molecular Structure of 5284-22-0 (2-Heptylphenol) Hazard Symbols N/A
Synonyms

n-heptyl phenol;2-Hydroxy-1-heptyl-benzol;n-Heptyl-Phenol;heptylphenol;O-HEPTYLPHENOL;2-heptylphenol;2-Heptyl-phenol;

Article Data 7

o-Heptylphenol Chemical Properties

Product Name: o-Heptylphenol (CAS NO.5284-22-0)


Molecular Formula: C13H20O
Molecular Weight: 192.33g/mol
Mol File: 5284-22-0.mol
Boiling point: 287.8 °C at 760 mmHg
Flash Point: 153 °C
Density: 0.946 g/cm3
Surface Tension: 36 dyne/cm
Enthalpy of Vaporization: 54.82 kJ/mol
Vapour Pressure: 0.0014 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of o-Heptylphenol (CAS NO.5284-22-0):
  IUPAC Name: (2,6-dimethoxyphenyl)-piperidin-1-ylmethanone
  Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)N2CCCCC2
  InChI: InChI=1S/C14H19NO3/c1-17-11-7-6-8-12(18-2)13(11)14(16)15-9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3 
  InChIKey: PUCATIHEPDIDJQ-UHFFFAOYSA-N

o-Heptylphenol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2750mg/kg (2750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 218, 1935.

o-Heptylphenol Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

o-Heptylphenol Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

o-Heptylphenol Specification

 o-Heptylphenol , its CAS NO. is 5284-22-0, the synonyms are 2-Heptylphenol ; 4-06-00-03453 (Beilstein Handbook Reference) ; BRN 2253374 ; o-n-Heptylphenol ; Phenol, 2-heptyl- (9CI) .

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