1,2,3,4-tetramethylbenzene

• ChemBase ID: 110943
• Molecular Formular: C10H14
• Molecular Mass: 134.21816
• Monoisotopic Mass: 134.10955045
• SMILES: Cc1ccc(C)c(C)c1C
• Canonical SMILES: Cc1c(C)ccc(c1C)C
• InChI: InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
• InChIKey: UOHMMEJUHBCKEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetramethylbenzene
• IUPAC Traditional name: 1,2,3,4-tetramethylbenzene
• Synonyms: Prehenitene; 1,2,3,4-Tetramethylbenzene; PREHNITENE; 1,2,3,4-四甲基苯

Database IDs

• CAS Number: 488-23-3
• EC Number: 207-673-1
• MDL Number: MFCD00008521
• Beilstein Number: 1904390
• PubChem SID: 162096028
• PubChem CID: 10263

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0269313
• LogD (pH = 7.4): 4.0269313
• Log P: 4.0269313
• Molar Refractivity: 46.2228 cm^3
• Polarizability: 17.453876 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -6.3°C
• Boiling Point: 203°C; 204°C
• Flash Point: 68°C(154°F)
• Density: 0.900; 0.901 g/ml
• Refractive Index: 1.5190

Safety Information

• RTECS: DC0465000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05217115

MP Biomedicals Rare Chemical collection