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o-Amylphenol

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Name

o-Amylphenol

EINECS N/A
CAS No. 136-81-2 Density 0.964g/cm3
PSA 20.23000 LogP 3.12490
Solubility N/A Melting Point 49.82°C (estimate)
Formula C11H16 O Boiling Point 252.4°Cat760mmHg
Molecular Weight 164.247 Flash Point 126.3°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 136-81-2 (o-pentylphenol) Hazard Symbols N/A
Synonyms

Phenol,o-pentyl- (6CI,7CI,8CI); 2-Pentylphenol; NSC 309965; o-Amylphenol;o-Pentylphenol

Article Data 12

o-Amylphenol Chemical Properties

Product Name: o-Amylphenol (CAS NO.136-81-2)


Molecular Formula: C11H16O
Molecular Weight: 164.24414g/mol
Mol File: 136-81-2.mol
EINECS: 205-261-6
Boiling point: 252.4 °C at 760 mmHg
Flash Point: 126.3 °C
Density: 0.964 g/cm3
Surface Tension: 36.4 dyne/cm
Enthalpy of Vaporization: 50.95 kJ/mol
Vapour Pressure: 0.0122 mmHg at 25°C
XLogP3-AA: 4
H-Bond Donor: 1
H-Bond Acceptor:
Structure Descriptors of o-Amylphenol (CAS NO.136-81-2):
  IUPAC Name: 2-pentylphenol
  Canonical SMILES: CCCCCC1=CC=CC=C1O
  InChI: InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h5-6,8-9,12H,2-4,7H2,1H3 
  InChIKey: MEEKGULDSDXFCN-UHFFFAOYSA-N

o-Amylphenol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 700mg/kg (700mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 218, 1935.

o-Amylphenol Consensus Reports

Reported in EPA TSCA Inventory.

o-Amylphenol Safety Profile

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

o-Amylphenol Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

o-Amylphenol Specification

 o-Amylphenol , its CAS NO. is 136-81-2, the synonyms are 2-Pentylphenol ; 4-06-00-03368 (Beilstein Handbook Reference) ; AI3-00455 ; BRN 2437418 ; EINECS 205-261-6 ; NSC 309965 ; o-Pentylphenol ; Phenol, 2-pentyl- ; Phenol, o-pentyl- .

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