Raspberry ketone

• Catalog Number: ACM5471512
• Product Name: Raspberry ketone
• CAS: 5471-51-2
• Category: Heterocyclic Organic Compound
• Synonyms: Oxyphenone
• IUPAC Name: 4-(4-Hydroxyphenyl)butan-2-one
• Molecular Weight: 164.2
• Molecular Formula: C10H12O2
• Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)O
• InChI: InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
• InChI Key: NJGBTKGETPDVIK-UHFFFAOYSA-N
• Boiling Point: 200 °C
• Melting Point: 81-85 °C(lit.)
• Flash Point: 122.9 °C
• Density: 1.0326 g/cm³
• Solubility: Insoluble in water
• Appearance: Solid
• Storage: Under inert gas (argon)
• Assay: 0.99
• Complexity: 146
• Exact Mass: 164.083729621
• Hazard Statements: Xn,Xi
• Monoisotopic Mass: 164.083729621
• Packaging: 1 kg
• Physical State: Solid
• pKa: 9.99±0.15(Predicted)
• Refractive Index: 1.5250
• Safety Description: 26-36/37/39
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Store in a tightly closed container. Store in a cool, dry area away from incompatible substances.
• Supplemental Hazard Statements: H301-H302
• Symbol: GHS07,GHS06
• Topological Polar Surface Area: 37.3 Ų

Custom Q&A

What is the molecular formula of Raspberry Ketone?

The molecular formula of Raspberry Ketone is C10H12O2.

What is the molecular weight of Raspberry Ketone?

The molecular weight of Raspberry Ketone is 164.20 g/mol.

What is the IUPAC Name of Raspberry Ketone?

The IUPAC Name of Raspberry Ketone is 4-(4-hydroxyphenyl)butan-2-one.

What is the Canonical SMILES of Raspberry Ketone?

The Canonical SMILES of Raspberry Ketone is CC(=O)CCC1=CC=C(C=C1)O.

What is the InChI of Raspberry Ketone?

The InChI of Raspberry Ketone is InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3.

What is the InChIKey of Raspberry Ketone?

The InChIKey of Raspberry Ketone is NJGBTKGETPDVIK-UHFFFAOYSA-N.

What are some synonyms of Raspberry Ketone?

Some synonyms of Raspberry Ketone are 4-(4-Hydroxyphenyl)-2-butanone, 5471-51-2, Frambinone, etc.

How many Hydrogen Bond Donor Counts does Raspberry Ketone have?

Raspberry Ketone has 1 Hydrogen Bond Donor Count.

What is the XLogP3-AA value of Raspberry Ketone?

The XLogP3-AA value of Raspberry Ketone is 1.5.

In which fruits can Raspberry Ketone be found?

Raspberry Ketone can be found in a variety of fruits including raspberries, blackberries, and cranberries.