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W273601 Sigma-Aldrich

Phenyl ethyl dimethyl carbinyl isobutyrate

≥97%, FG

Synonym: papaya isobutyrate

  • CAS Number 10031-71-7

  • Empirical Formula (Hill Notation) C15H22O2

  • Molecular Weight 234.33

  •  FEMA Number 2736

  •  EC Number 233-092-8

  •  Council of Europe no. 2086

  •  MDL number MFCD00216766

  •  PubChem Substance ID 329830526

  •  Flavis number 9.484

  •  NACRES NA.21

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Properties

Related Categories Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products,
Quality Level   400
biological source   synthetic
grade   FG
  Halal
  Kosher
  follows IFRA guidelines
reg. compliance   EU Regulation 1223/2009
  EU Regulation 1334/2008 & 178/2002
Agency/Method   meets purity specifications of JECFA
reg. compliance   FDA 21 CFR 172.515
assay   ≥97%
Documentation   see Safety & Documentation for available documents
Organoleptic   fruity; floral; sweet
food allergen   no known allergens
fragrance allergen   no known allergens
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.

Packaging

1 kg in poly bottle

100 g in poly bottle

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles

Articles

Flavors of Summer 2016

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Peer-Reviewed Papers
15

References

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