3-Phenylpropyl isobutyrate - CAS 103-58-2
Catalog number: 103-58-2
Category: Main Product
Molecular Formula:
C13H18O2
Molecular Weight:
206.28
COA:
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Purity:
95%
Appearance:
Colourless liquid, fruity-balsamic sweet odour
Synonyms:
Hydrocinnamyl isobutyrate
MSDS:
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Quantity:
Data not available, please inquire.
Boiling Point:
291.6ºC at 760 mmHg
Melting Point:
-60ºC
Density:
0.979 g/mL at 25ºC(lit.)
InChIKey:
VBTAKMZSMFMLGT-UHFFFAOYSA-N
InChI:
InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
Canonical SMILES:
CC(C)C(=O)OCCCC1=CC=CC=C1
1.Fragrance material review on 3-phenylpropyl isobutyrate.
Bhatia SP1, Cocchiara J, Wellington GA, Lalko J, Letizia CS, Api AM. Food Chem Toxicol. 2011 Dec;49 Suppl 2:S242-5. doi: 10.1016/j.fct.2011.07.048. Epub 2011 Aug 10.
A toxicologic and dermatologic review of 3-phenylpropyl isobutyrate when used as a fragrance ingredient is presented. 3-Phenylpropyl isobutyrate is a member of the fragrance structural group cinnamyl phenylpropyl compounds. The common characteristic structural element of cinnamyl phenylpropyl materials is an aryl substituted primary alcohol/aldehyde/ester. They are simple aromatic compounds with saturated propyl or unsaturated propenyl side chains containing a primary oxygenated functional group which has little toxic potential. 3-Phenyl-1-propyl derivatives participate in the same beta oxidation pathways as do their parent cinnamic acid derivatives. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 3-phenylpropyl isobutyrate was evaluated then summarized and includes physical properties, acute toxicity, skin irritation and skin sensitization.
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CAS 103-58-2 3-Phenylpropyl isobutyrate

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