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
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. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
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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