Isobutyl Cinnamate

• CAS: 122-67-8
• Catalog Number: ACM-MO-122678
• Category: Micro/NanoElectronics; Vinyl Monomers
• Molecular Weight: 204.26 g/mol
• Molecular Formula: C13H16O2
• Description: Colourless liquid, sweet fruity balsamic odour
• Synonyms: (E)-3-phenyl-2-propenoic acid 2-methylpropyl ester
• IUPAC Name: 2-Methylpropyl (E)-3-phenylprop-2-enoate
• Canonical SMILES: CC(C)COC(=O)C=CC1=CC=CC=C1
• InChI: InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
• InChI Key: IQZUZPKOFSOVET-CMDGGOBGSA-N
• Boiling Point: 287 °C/lit.
• Flash Point: 113 °C
• Density: 1 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in oils
• Appearance: Colorless to Pale Yellow Clear Liquid (Est)
• Application: This product is suitable for scientific research.
• Storage: room temp
• Assay: 0.99
• Complexity: 213
• Covalently-Bonded Unit Count: 1
• EC Number: 204-564-0
• Exact Mass: 204.115029749
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• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Isomeric SMILES: CC(C)COC(=O)/C=C/C1=CC=CC=C1
• MDL Number: MFCD00038289
• Monoisotopic Mass: 204.115029749
• NACRES: NA.23
• NSC Number: 404181
• Packaging: 1 kg
• Physical State: Liquid
• PubChem ID: 24878196
• Quality Level: 100
• Refractive Index: 1.54 (lit.)
• Rotatable Bond Count: 5
• Specific Gravity: 1
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 26.3 Ų
• UNII: 4NCI0MR7KP
• XLogP3: 4

Custom Q&A

What is the PubChem CID of Isobutyl cinnamate?

The PubChem CID of Isobutyl cinnamate is 778574.

What is the molecular formula of Isobutyl cinnamate?

The molecular formula of Isobutyl cinnamate is C13H16O2.

What is the molecular weight of Isobutyl cinnamate?

The molecular weight of Isobutyl cinnamate is 204.26 g/mol.

What is the IUPAC name of Isobutyl cinnamate?

The IUPAC name of Isobutyl cinnamate is 2-methylpropyl (E)-3-phenylprop-2-enoate.

What are some synonyms of Isobutyl cinnamate?

Some synonyms of Isobutyl cinnamate are Labdanol, 2-Methylpropyl cinnamate, and 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester.

Where is Isobutyl cinnamate found naturally?

Isobutyl cinnamate is found naturally in Artemisia salsoloides.

What is the InChIKey of Isobutyl cinnamate?

The InChIKey of Isobutyl cinnamate is IQZUZPKOFSOVET-CMDGGOBGSA-N.

What is the CAS number of Isobutyl cinnamate?

The CAS number of Isobutyl cinnamate is 122-67-8.

What is the FEMA number of Isobutyl cinnamate?

The FEMA number of Isobutyl cinnamate is 2193.

What is the XLogP3 value of Isobutyl cinnamate?

The XLogP3 value of Isobutyl cinnamate is 4.