Polyether_Polyether Polyol Knowledge 6-tert-butyl m-cresol

6-tert-butyl m-cresol

6-tert-butyl m-cresol structural formula

Structural formula

Business number 01ZQ
Molecular formula C11H16O
Molecular weight 164.24
label

5-Methyl-2-(1,1-dimethylethyl)-5-phenol,

2-tert-butyl-5-cresol,

2-tert-Butyl-5-methylphenol,

2-(1,1-Dimethylethyl)-5-methylphenol

Numbering system

CAS number:88-60-8

MDL number:MFCD00002308

EINECS number:201-842-3

RTECS number:SK1578180

BRN number:1908225

PubChem number:24892153

Physical property data

1. Properties: needle-like crystals.

2. Density (g/mL, 25/4℃): 0.922

3. Relative vapor density (g/mL, air=1): 0.964

4. Melting point (ºC): 46-47

5. Boiling point (ºC, normal pressure): 244; 127ºC (1466pa)

6. Boiling point (ºC): 127 ℃ (1.46kPa), 117-118℃ (1.6kPa) has also been reported

7. Refractive index (n20D):1.5182

8. Flash point (ºC): 105

9. Specific rotation (º): Undetermined

10. Autoignition point Or ignition temperature (ºC): not determined

11. Vapor pressure (kPa, 25ºC): not determined

12. Saturated vapor pressure (kPa, 60ºC): not determined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, acetone, ethyl acetate and carbon disulfide, slightly soluble in benzene, gasoline, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 51.34

2. Molar volume (cm3/mol): 170.8

3. Isotonic specific volume (90.2K ): 407.9

4. Surface tension (dyne/cm): 32.5

5. Polarizability (10-24cm3): 20.35

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2.�Number of � bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Mutator variation Number of structures: 9

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 146

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exist in mainstream smoke.

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

Obtained from the reaction of m-cresol and isobutylene in the presence of aluminum trichloride. The reaction is carried out in concentrated sulfuric acid at a reaction temperature of 310-320°C. After the reaction is completed, the finished product is obtained through neutralization and distillation.

Purpose

Organic synthesis intermediates. Used to produce phenolic antioxidant CA, antioxidant 300, and antioxidant BBM.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/18910

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