2-tert-Butyl-4,6-dimethylphenol
Product Information
Molecular Formula
C12H18O
Molecular Weight
178.27
Description
2,4-dimethyl-6-tert-butyl phenol appears as a yellow liquid with a phenolic odor. Insoluble in water and about the same density as water. Exposure to skin, eyes or mucous membranes may cause severe burns.
Synonyms
2,4-Dimethyl-6-tert-butylphenol; 1879-09-0; 2-(tert-Butyl)-4,6-dimethylphenol; 2-tert-Butyl-4,6-dimethylphenol; 6-tert-Butyl-2,4-dimethylphenol; TopanolA
IUPAC Name
2-tert-butyl-4,6-dimethylphenol
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)C
InChI
InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
InChI Key
OPLCSTZDXXUYDU-UHFFFAOYSA-N
Boiling Point
249°C
Melting Point
22-23°C
Flash Point
111.7°C
Purity
95%
Density
0.91
Solubility
water, 29.64 mg/L @ 25 °C (est)
Appearance
Colorless liquid or White crystal
Application
Used as an antioxidant and rubber processing agent; Used as an intermediate and in the formulation of lubricant additives, lubricants, greases, hydraulic fluids, and metalworking fluids.
Storage
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Refractive Index
1.52
Vapor Pressure
0.01 [mmHg]
Safety Information
Hazards
H310 H302 H315 H319 H373 H411
Precautionary Statement
P501 P273 P260 P270 P262 P264 P280 P391 P314 P337 + P313 P305 + P351 + P338 P361 + P364 P332 + P313 P301 + P312 + P330 P302 + P352 + P310 P405
Computed Properties
XLogP3
4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
178.135765193 g/mol
Monoisotopic Mass
178.135765193 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
169
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114149836-A | No. 102 lead-free aviation gasoline and production method thereof | 2021-12-20 |
| CN-114106787-A | Cooling medium composition and preparation method thereof | 2021-12-02 |
| CN-114032053-A | Lithium battery aluminum plastic film inner layer adhesive and preparation method thereof | 2021-11-30 |
| CN-113896845-A | Low-sensitivity slow-release polycarboxylic slump retaining agent and preparation method thereof | 2021-11-01 |
| CN-113997476-A | Core mold material for rocket engine grain molding and preparation method thereof | 2021-10-18 |
| CN-113914139-A | Method for preparing wear-resistant protective material for paper product packaging | 2021-10-13 |
| CN-113736525-A | No. 91 leadless aviation gasoline and production method thereof | 2021-10-12 |
| CN-113736526-A | Alkane composition, No. 100 unleaded aviation gasoline composition containing alkane composition and production method thereof | 2021-10-12 |
| CN-113736527-A | No. 94 lead-free aviation gasoline and production method thereof | 2021-10-12 |
| CN-113845944-A | No. 100 ultralow-lead aviation gasoline and production method thereof | 2021-10-12 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22393592 | 2011-12-01 | [Determination of propofol in human blood by GC-MS] | Fa yi xue za zhi |
| 19822341 | 2010-02-01 | Treatment of municipal solid waste leachate using a submerged anaerobic membrane bioreactor at mesophilic and psychrophilic temperatures: analysis of recalcitrants in the permeate using GC-MS | Water research |
| 12172686 | 2002-07-01 | Reversed-phase HPLC of polymer additives with multiple on-line spectroscopic analysis (UV, IR, (1)H NMR and MS) | Analytical and bioanalytical chemistry |
