4-tert-Octylphenol

• Catalog Number: ACM140669
• Product Name: 4-tert-Octylphenol
• CAS: 140-66-9
• Category: Heterocyclic Organic Compound
• Description: A common environmental pollutant showing weak estrogenic effects. Has been shown to cause harm to the male reproductive system of vertebrates.
• Synonyms: 4-(1,1,3,3-Tetramethylbutyl)Phenol
• Molecular Weight: 206.32
• Molecular Formula: C14H22O
• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
• Boiling Point: 175 °C (lit.) at 30 mmHg
• Melting Point: 79-82ºC
• Flash Point: 148.3ºC
• Density: 0.935 g/cm³
• Appearance: White powder
• EC Number: 205-426-2
• Hazard Codes: Xn
• Hazard Statements: Xn,N,Xi,F
• HS Code: 29071300
• LogP: 4.10600
• MDL Number: MFCD00002368
• PSA: 2.23
• Refractive Index: 1.5135 (20ºC)
• RIDADR: UN 2430
• Safety Description: 26-36-61-60-39-16-9
• Stability: Stable. Incompatible with strong oxidizing agents, strong bases.
• Storage Conditions: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
• Supplemental Hazard Statements: H225-H319-H336-H412-H315-H318-H410
• Symbol: GHS05,GHS09,GHS02,GHS07
• Vapor Pressure: 0.00025mmHg at 25°C
• WGK Germany: 2

Custom Q&A

What is the PubChem CID of 4-tert-Octylphenol?

The PubChem CID of 4-tert-Octylphenol is 8814.

What is the molecular formula of 4-tert-Octylphenol?

The molecular formula of 4-tert-Octylphenol is C14H22O.

What is the molecular weight of 4-tert-Octylphenol?

The molecular weight of 4-tert-Octylphenol is 206.32 g/mol.

What is the IUPAC name of 4-tert-Octylphenol?

The IUPAC name of 4-tert-Octylphenol is 4-(2,4,4-trimethylpentan-2-yl)phenol.

What is the InChI of 4-tert-Octylphenol?

The InChI of 4-tert-Octylphenol is "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3".

What is the InChIKey of 4-tert-Octylphenol?

The InChIKey of 4-tert-Octylphenol is "ISAVYTVYFVQUDY-UHFFFAOYSA-N".

What is the canonical SMILES of 4-tert-Octylphenol?

The canonical SMILES of 4-tert-Octylphenol is "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O".

What is the CAS number of 4-tert-Octylphenol?

The CAS number of 4-tert-Octylphenol is 140-66-9.

What is the ChEBI ID of 4-tert-Octylphenol?

The ChEBI ID of 4-tert-Octylphenol is not mentioned in the reference.

What is the XLogP3 value of 4-tert-Octylphenol?

The XLogP3 value of 4-tert-Octylphenol is 5.