2-tert-butylphenol

2-tert-butylphenol structural formula

Structural formula

Business number 01Z6
Molecular formula C10H14O
Molecular weight 150.22
label

o-tert-butylphenol,

2-Hydroxy-1-tert-butylbenzene,

2-(1,1-dimethylethyl)phenol,

2-(1,1-Dimethylethyl)phenol,

2-tert-butyl-1-hydroxybenzene,

o-tert-Butylphenol

Numbering system

CAS number:88-18-6

MDL number:MFCD00002223

EINECS number:201-807-2

RTECS number:SJ8921000

BRN number:1907120

PubChem number:24892164

Physical property data

1. Properties: crystalline.

2. Density (g/mL, 25/4℃): 0.9783

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

4. Melting point (ºC): -7

5. Boiling point (ºC, normal pressure): 221-224

6. Boiling point (ºC, 5.2kPa): Not available Confirm

7. Refractive index (n20D): 1.516

8. Flash Point (ºC): 110

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: Undetermined

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

18. Explosion lower limit (%, V/V) : Undetermined

19. Solubility: Soluble in ethanol and ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 35.46

2. Molar volume (cm3/mol): 125.2

3. Isotonic specific volume (90.2K ): 290.3

4. Surface tension (dyne/cm): 28.8

5. Polarizability (10-24cm3): 14.06

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 123

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 flue-cured tobacco leaves and smoke.

Storage method

1. Store in sealed and protected form.

Synthesis method

1. Tobacco: FC, 18.

Purpose

Organic Synthesis. This product is mainly used as raw materials for antioxidants, plant protection agents, synthetic resins, pharmaceuticals, pesticide intermediates and flavors and fragrances.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28522

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