Molecular Structure of 2,4-Di-t-pentylphenol (120-95-6):

EINECS: 204-439-0
IUPAC Name: 2,4-Bis(2-methylbutan-2-yl)phenol 
MW: Molecular Formula: C₁₆H₂₆O
Molecular Weight:  234.377040 g/mol
XLogP3-AA: 6
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC
InChI: InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChIKey: WMVJWKURWRGJCI-UHFFFAOYSA-N
Index of Refraction: 1.495
Molar Refractivity: 74.17 cm³
Molar Volume: 254.2 cm³
Surface Tension: 30.5 dyne/cm
Density: 0.921 g/cm³
Flash Point: 139.9 °C
Melting Point: 25 °C(lit.)
Enthalpy of Vaporization: 54.51 kJ/mol
Boiling Point: 285.1 °C at 760 mmHg
Vapour Pressure: 0.00167 mmHg at 25 °C
Water Solubility: 0.4441 mg/L at 25 °C
Refractive Index: 1.506-1.508 
BRN:  2370274

Reported in EPA TSCA Inventory.

Safety Information of 2,4-Di-t-pentylphenol (120-95-6):
Hazard Codes: Xn
Risk Statements: 22-36-36/38
22: Harmful if swallowed
36: Irritating to the eyes
36/38: Irritating to eyes and skin
Safety Statements: 26-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 2
RTECS: SL3500000
Poison by ingestion. An eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also PHENOL.

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

  2,4-Di-t-pentylphenol (120-95-6) is clear yellow liquid after melting. When heated to decomposition, it yields irritating and toxic fumes and gases. 2,4-Di-t-pentylphenol (120-95-6) is also known as 2,4-Di-tert-amylphenol ; 2,4-Di-tert-pentylphenol ; 3-06-00-02085 (Beilstein Handbook Reference) ; Di-tert-amylphenol ; HSDB 5588 ; NSC 158351 ; Phenol, 2,4-bis(1,1-dimethylpropyl)- ; Phenol, 2,4-di-tert-pentyl- ; Prodox 156 .