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| CAS No.: | 120-95-6 |
|---|---|
| Name: | 2,4-Di-tert-pentylphenol |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C16H26 O |
| Molecular Weight: | 234.382 |
| Synonyms: | Phenol,2,4-di-tert-pentyl- (6CI,7CI,8CI); 2,4-Bis(1,1-dimethylpropyl)phenol;2,4-Bis(tert-pentyl)phenol; 2,4-Di(1,1-dimethylpropyl)phenol;2,4-Di-tert-amylphenol; 2,4-Di-tert-pentylphenol; NSC 158351 |
| EINECS: | 204-439-0 |
| Density: | 0.930 |
| Melting Point: | 23 - 25 C |
| Boiling Point: | 234 - 235 C |
| Flash Point: | 143 ºC |
| Solubility: | clear to pale yellow semi soild |
| Hazard Symbols: |
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| Risk Codes: | R22;R36/38 |
| Transport Information: | 180kgs |
| PSA: | 20.23000 |
| LogP: | 4.76740 |
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Chemistry
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
Toxicity Data With Reference
| 1. | eye-rbt 100 mg MOD | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. | ||
| 2. | orl-rat LD50:330 mg/kg | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2,4-Di-t-pentylphenol (120-95-6):
Hazard Codes: Xn .gif){kind=small}
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.
Standards and Recommendations
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
Specification
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 .