Phenethyl isobutyrate - CAS 103-48-0
Catalog: |
BB001147 |
Product Name: |
Phenethyl isobutyrate |
CAS: |
103-48-0 |
Synonyms: |
2-phenylethyl 2-methylpropanoate |
IUPAC Name: | 2-phenylethyl 2-methylpropanoate |
Description: | Phenethyl isobutyrate (CAS# 103-48-0 ) is a useful research chemical. |
Molecular Weight: | 192.25 |
Molecular Formula: | C12H16O2 |
Canonical SMILES: | CC(C)C(=O)OCCC1=CC=CC=C1 |
InChI: | InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
InChI Key: | JDQVBGQWADMTAM-UHFFFAOYSA-N |
Boiling Point: | 250 ℃ |
Flash Point: | 105.8°C |
Density: | 0.99 g/cm3 |
Appearance: | Colourless to slighty yellow liquid; fruity-rosy odour |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00026441 |
LogP: | 2.42830 |
Refractive Index: | 1.49 |
Publication Number | Title | Priority Date |
CN-113265299-A | Watermelon essence and electronic atomized liquid containing same | 20210421 |
JP-2021073195-A | Composition with stable taste and odor | 20201228 |
CN-112574819-A | Kyoho grape essence and preparation method and application thereof | 20201118 |
CN-112143564-A | Daily chemical essence with fruit fragrance and preparation method thereof | 20201019 |
EP-3900696-A1 | Encapsulated fragrance composition | 20200421 |
PMID | Publication Date | Title | Journal |
22406563 | 20120901 | Fragrance material review on phenethyl isobutyrate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.115029749 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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