3-tert-Butyl-4-hydroxyanisole 3-t-Butyl-4-hydroxyanisole
Structural formula
| Business number | 03D4 |
|---|---|
| Molecular formula | C11H16O2 |
| Molecular weight | 180.24 |
| label |
3-tert-butyl-4-hydroxyanisole, 4-Methyl-2-tert-butylphenol, 4-Hydroxy-3-tert-butyl-anisole, 3-tert-butyl-4-hydroxyanisole, 2(3)-tert-butyl-4-hydroxyanisole, 2-tert-butyl-4-methoxyphenol, BHA antioxidant, m-tert-butyl-p-hydroxyanisole, 2-Tert-butyl-4-methoxyphenol, AKOS BBS-00008117, 3-BHA, 3-T-Butyl-4-hydroxyanisole, 3-Tert-butyl-4-hydroxyanisole, 4-hydroxy-3-tetr-Butylanisole, Antioxidants |
Numbering system
CAS number:121-00-6
MDL number:MFCD00040484
EINECS number:204-442-7
RTECS number:SK1575000
BRN number:1867499
PubChem number:24851349
Physical property data
1. Character: Colorless Or yellowish waxy solid. for3- ; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>tert-butyl-4-Hydroxyanisole and2 –tert-butyl-4-Mixture of hydroxyanisole. Paracids, 2,6-Di-tert-butyl-p-cresol, propyl gallate, p- Diphenol, methionine, lecithin, thiodipropionic acid, etc. have antioxidant effects.
2. Density ( g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point ( ºC): 48～55
5. Boiling point ( ºC,Normal pressure): Undetermined
6. Boiling point ( ºC, 97.73kPa):264～270
7. Refractive Index: Undetermined
8. Flashpoint (ºC): ≥110
9. Specific optical rotation (º): Undetermined<SPAN5. Molecular property data:
1. Molar refractive index: 53.20
2. Molar volume（m3/ mol）：178.5
3. isotonic ratio（90.2K）：426.9
4. Surface Tension(dyne/cm)：32.7
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 21.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 160
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Basic properties
Colorless or slightly yellow waxy solid. It is a mixture of 3-tert-butyl-4-hydroxyanisole and 2-tert-butyl-4-hydroxyanisole. It has antioxidant effects on acids, 2,6-di-tert-butyl-p-cresol, propyl gallate, hydroquinone, methionine, lecithin, thiodipropionic acid, etc. Soluble in petroleum ether, 50% ethanol, propylene glycol, fats and oils, almost insoluble in water. Melting point 48~55℃ (57~65℃). Boiling point 264~270℃ (97.73kPa). Flash point ≥110℃. Low toxicity, LD50 (rat, oral) 2200 mg/kg. Potentially carcinogenic. Irritating.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None
Purpose
Antioxidants for food, cosmetics, and pharmaceuticals. It is also an antioxidant for rubber and petroleum products.
-family: Arial”>5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 21.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 160
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Basic properties
Colorless or slightly yellow waxy solid. It is a mixture of 3-tert-butyl-4-hydroxyanisole and 2-tert-butyl-4-hydroxyanisole. It has antioxidant effects on acids, 2,6-di-tert-butyl-p-cresol, propyl gallate, hydroquinone, methionine, lecithin, thiodipropionic acid, etc. Soluble in petroleum ether, 50% ethanol, propylene glycol, fats and oils, almost insoluble in water. Melting point 48~55℃ (57~65℃). Boiling point 264~270℃ (97.73kPa). Flash point ≥110℃. Low toxicity, LD50 (rat, oral) 2200 mg/kg. Potentially carcinogenic. Irritating.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None
Purpose
Antioxidants for food, cosmetics, and pharmaceuticals. It is also an antioxidant for rubber and petroleum products.
