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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.