Basic information
- CAS
488-70-0- Standard SMILES
Cc1cc(O)c(C)c(C)c1C- InChIKey
PXSSNPBEHHJLDH-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2,3,4,5-Tetramethylphenol
- IUPAC
- 2,3,4,5-tetramethylphenol
- English name
- 2,3,4,5-tetramethylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2,3,4,5-TetramethylphenolPrehnitenolPhenol, 2,3,4,5-tetramethyl-S1FFE0H77W1-Hydroxy-2,3,4,5-tetramethylbenzeneEINECS 207-684-1UNII-S1FFE0H77WNSC 401121NSC-401121DTXSID4060074RefChem:81262DTXCID8040648
Show more names
InChI=1/C10H14O/c1-6-5-10(11)9(4)8(3)7(6)2/h5,11H,1-4H488-70-02,4,5-TetramethylphenolPhenol,3,4,5-tetramethyl-SCHEMBL185566SCHEMBL3937902,3,4,5-tetramethyl-phenolSCHEMBL28675372
Database identifiers
- CAS
488-70-0- PubChem CID
- 68102
- DTXSID
DTXSID4060074- UNII
- S1FFE0H77W
- EC Number
- 207-684-1
- Nikkaji
- J182.235G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 82 °C · 82°C
- Boiling point
- 260 °C · 260°C
- Density
- 0.9688 · 0.9688 (estimate)
- refractive index
- 1.5066 · 1.5066 (estimate)
- pka
- 10.86 · 10.86±0.28(Predicted)
- FDA UNII
- 1 FFE0H77W · S1FFE0H77W
- EPA Substance Registry System
- 2 · Phenol, 2,3,4,5-tetramethyl- (488-70-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,3,4,5-tetramethyl-: INACTIVE
Suppliers3 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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