4-Ethylphenol

• CAS: 123-07-9
• Catalog Number: ACM123079
• Category: Phenols
• Molecular Weight: 122.17
• Molecular Formula: C8H10O
• Description: Liquid;Solid;Solid;Colourless needle like crystals, powerful, woody phenolic, medicinal, yet rather sweet odour
• IUPAC Name: 4-ethylphenol
• Canonical SMILES: CCC1=CC=C(C=C1)O
• InChI: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
• InChI Key: HXDOZKJGKXYMEW-UHFFFAOYSA-N
• Boiling Point: 217.9 °C;217.9 °C
• Melting Point: 41-46°C
• Flash Point: 100°C
• Density: 1.011
• Solubility: 0.03 M;SLIGHTLY SOL IN WATER; SOL IN ALC, ETHER, & BENZENE; SOL IN CARBON DISULFIDE, & ACETONE;In water, 4.90X10+3 mg/l at 25 °C;slightly soluble in water; soluble in oils;very soluble (in ethanol)
• Appearance: Off-white solid
• Assay: 0.9999
• Color/Form: COLORLESS OR WHITE NEEDLES; TEND TO YELLOW ON EXPOSURE TO LIGHT
• Complexity: 72.6
• Covalently-Bonded Unit Count: 1
• EC Number: 204-598-6
• Exact Mass: 122.073165g/mol
• Formal Charge: 0
• Hazard Statements: H301-H311-H314-H411
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 9
• LogP: 2.58 (LogP);Log Kow = 2.58
• Monoisotopic Mass: 122.073165g/mol
• NSC Number: 62012
• Odor: POWERFUL WOODY-PHENOLIC, YET SOMEWHAT SWEET;MEDICINAL, PHENOLIC
• Other Experimental: Liquid Heat of Formation = 0.123319 cu m/kmol
• Packaging: 1 kg
• Refractive Index: 1.533
• RIDADR: UN 2261 6.1 / PGII
• Rotatable Bond Count: 1
• Stability: Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
• Storage Conditions: Store in a cool, dry place. Store in a tightly closed container.
• Symbol: GHS05
• UNII: AGG7E6G0ZC
• Vapor Pressure: 0.04 mmHg;0.0372 mm Hg at 25 °C.
• XLogP3: 2.6

Custom Q&A

What is the molecular formula of 4-ethylphenol?

The molecular formula of 4-ethylphenol is C8H10O.

What is the molecular weight of 4-ethylphenol?

The molecular weight of 4-ethylphenol is 122.16 g/mol.

What is the IUPAC name of 4-ethylphenol?

The IUPAC name of 4-ethylphenol is 4-ethylphenol.

What is the InChI of 4-ethylphenol?

The InChI of 4-ethylphenol is InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3.

What is the InChIKey of 4-ethylphenol?

The InChIKey of 4-ethylphenol is HXDOZKJGKXYMEW-UHFFFAOYSA-N.

What is the canonical SMILES of 4-ethylphenol?

The canonical SMILES of 4-ethylphenol is CCC1=CC=C(C=C1)O.

What is the CAS number of 4-ethylphenol?

The CAS number of 4-ethylphenol is 123-07-9.

Where is 4-ethylphenol found?

4-ethylphenol is found in arabica coffee and is also produced in wine and beer by the spoilage yeast Brettanomyces.

What is the FEMA number of 4-ethylphenol?

The FEMA number of 4-ethylphenol is 3156.

What is the JECFA number of 4-ethylphenol?

The JECFA number of 4-ethylphenol is 694.