W273601

Phenyl ethyl dimethyl carbinyl isobutyrate

≥97%, FG

• Synonym(s): papaya isobutyrate
• Empirical Formula (Hill Notation): C₁₅H₂₂O₂
• CAS Number: 10031-71-7
• Molecular Weight: 234.33
• FEMA Number: 2736
• EC Number: 233-092-8
• Council of Europe no.: 2086
• MDL number: MFCD00216766
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830526
• Flavis number: 9.484
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 172.515
• Assay: ≥97%
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: floral; fruity; sweet
• SMILES string: CC(C)(OC(C(C)C)=O)CCC1=CC=CC=C1
• InChI: 1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
• InChI key: WCEXWNUHYPYHDN-UHFFFAOYSA-N

Description

General description

Phenyl ethyl dimethyl carbinyl isobutyrate is an aryl alkyl alcohol simple acid ester. It is also referred to as 2-methyl-4-phenyl-2-butyl isobutyrate. Vapor pressure of phenyl ethyl dimethyl carbinyl isobutyrate is 0.00187mmHg at 25°C. Safety and dermatological assessment of phenyl ethyl dimethyl carbinyl isobutyrate have been reported.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable