| Identification | More | [Name]
4-tert-Amylphenol | [CAS]
80-46-6 | [Synonyms]
1-hydroxy-4(2-methyl-2-butyl)benzene
4-(1,1-DIMETHYLPROPYL)PHENOL
4-(2-METHYLBUT-2-YL)PHENOL
4-TERT-AMYLPHENOL
4-TERT-PENTYLPHENOL
LABOTEST-BB LT00033816
P-(1,1-DIMETHYLPROPYL)PHENOL
PARA-TERT-AMYLPHENOL
P-T-AMYLPHENOL
PTAP
P-TERT-AMYLPHENOL
P-TERT-PENTYLPHENOL
P-T-PENTYLPHENOL
(dimethyl-1,1propyl)-4phenol
1-Hydroxy-4-(1,1-dimethylpropyl)benzene
2-Methyl-2-p-hydroxyphenylbutane
4-(1,1-Dimethylpropyl)-1-phenol
4-(1,1-dimethylpropyl)-pheno
4-(2-Methyl-2-butyl)-phenol
4-t-Amylphenol | [EINECS(EC#)]
201-280-9 | [Molecular Formula]
C11H16O | [MDL Number]
MFCD00002369 | [Molecular Weight]
164.24 | [MOL File]
80-46-6.mol |
| Chemical Properties | Back Directory | [Appearance]
solid | [Melting point ]
88-89 °C (lit.) | [Boiling point ]
255 °C (lit.) | [density ]
0,96 g/cm3 | [vapor pressure ]
5Pa at 20℃ | [refractive index ]
1.5061 (estimate) | [Fp ]
111 °C
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
H2O: insoluble | [form ]
Briquettes or Flakes To Coarse Powder | [pka]
10.24±0.26(Predicted) | [color ]
White to pale yellow | [Stability:]
Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents. | [Water Solubility ]
37 mg/L (20 ºC) | [Merck ]
14,7142 | [Henry's Law Constant]
4.9×100 mol/(m3Pa) at 25℃, HSDB (2015) | [InChI]
1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 | [InChIKey]
NRZWYNLTFLDQQX-UHFFFAOYSA-N | [SMILES]
CCC(C)(C)c1ccc(O)cc1 | [LogP]
3.6 at 22℃ | [CAS DataBase Reference]
80-46-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Phenol, 4-(1,1-dimethylpropyl)-(80-46-6) | [EPA Substance Registry System]
80-46-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS05,GHS07,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H302+H312-H314-H317-H410 | [Precautionary statements ]
P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
C,N | [Risk Statements ]
R21/22:Harmful in contact with skin and if swallowed .
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 2430 8/PG 2
| [WGK Germany ]
2
| [RTECS ]
SM6825000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29071990 | [Storage Class]
8B - Non-combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1 | [Hazardous Substances Data]
80-46-6(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 3.08 g/kg (Smyth) |
| Hazard Information | Back Directory | [General Description]
Colorless needles or beige solid. | [Reactivity Profile]
Phenols, such as P-TERT-PENTYLPHENOL(80-46-6), do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock. This material can react with oxidizing materials. | [Air & Water Reactions]
Insoluble in water. | [Health Hazard]
ACUTE/CHRONIC HAZARDS: This chemical is toxic by ingestion and can be absorbed through the skin. Hazardous fumes are evolved when this material is heated to decomposition. | [Fire Hazard]
This compound is combustible. | [Chemical Properties]
solid | [Uses]
Demulsifiers, Biocides, Fragrances | [Uses]
In the manufacture of oil-soluble resins; has been recommended as a germicide and fumigant; intermediate for organic mercury germicides, for pesticides, for chemicals used in rubber and petroleum industries. | [Definition]
ChEBI: P-tert-Amylphenol is an alkylbenzene. | [Flammability and Explosibility]
Flammable | [Safety Profile]
Moderately toxic by ingestion andskin contact. A skin and severe eye irritant. Combustible.When heated to decomposition it emits toxic fumes. Tofight fire, use dry chemical, water mist, CO2. Incompatiblewith oxidizing materials. | [Purification Methods]
Purify via its benzoate, as for phenol. After evaporating the solvent from its solution in ether, the material is recrystallised (from the melt) to a constant melting point. The benzoyl derivative has m 60o (from EtOH). [Berliner et al. J Am Chem Soc 76 507 1954, Huston et al. J Am Chem Soc 67 899 1945, Beilstein 6 H 548, 6 I 269, 6 II 506, 6 III 1965, 6 IV 3383.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|