3,4,5-TRIMETHYLPHENOL (CAS: 527-54-8) - Chemical Structure and Molecular Formula
3,4,5-TRIMETHYLPHENOL (CAS: 527-54-8) - Chemical Structure Thumbnail

3,4,5-TRIMETHYLPHENOL

Catalog No:   FT-0614176

CAS No:   527-54-8

  • Chemical Name:  3,4,5-TRIMETHYLPHENOL
  • Molecular Formula:  C9H12O
  • Molecular Weight:  136.19
  • InChI Key:  FDQQNNZKEJIHMS-UHFFFAOYSA-N
  • InChI:  InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Symbol: GHS05
CAS: 527-54-8
Flash_Point: 109.1±8.4 °C
Product_Name: 3,4,5-TRIMETHYLPHENOL
Bolling_Point: 248.5±0.0 °C at 760 mmHg
FW: 136.191
Melting_Point: 109-98ºC
MF: C9H12O
Density: 1.0±0.1 g/cm3
Refractive_Index: 1.536
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Flash_Point: 109.1±8.4 °C
LogP: 2.86
Bolling_Point: 248.5±0.0 °C at 760 mmHg
PSA: 20.23000
Molecular_Structure: ['1 . Molar refractive index 4260 ', '2 . Molar volume 1366 ', '3 . Parachor （902K）3352 ', '4 . Surface tension 361 ', '5 . Polarizability 1689']
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :10 ', '6. TPSA 202 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :993 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point: 109-98ºC
MF: C9H12O
Exact_Mass: 136.088821
FW: 136.191
Density: 1.0±0.1 g/cm3
More_Info: ['1 . Melting point（ºC）94~98']
Symbol: GHS05
Risk_Statements(EU): R34
HS_Code: 2907199090
Packing_Group: III
Personal_Protective_Equipment: Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
RIDADR: UN 2430 8/PG 3
Safety_Statements: H314
Warning_Statement: P280-P305 + P351 + P338-P310

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