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CN

W273601

Phenyl ethyl dimethyl carbinyl isobutyrate

≥97%, FG

Synonym(s):

papaya isobutyrate

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About This Item

Empirical Formula (Hill Notation):
C15H22O2
CAS Number:
10031-71-7
Molecular Weight:
234.33
FEMA Number:
2736
Council of Europe no.:
2086
UNSPSC Code:
12164502
PubChem Substance ID:
329830526
Flavis number:
9.484
EC Number:
233-092-8
NACRES:
NA.21
MDL number:
MFCD00216766
Organoleptic:
floral; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CC(C)(OC(C(C)C)=O)CCC1=CC=CC=C1

InChI key

WCEXWNUHYPYHDN-UHFFFAOYSA-N

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

biological source

synthetic

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

Quality Level

300

Related Categories

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.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
SHBM6709
MKBW8116V

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D Belsito et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50 Suppl 2, S269-S313 (2012-03-13)
The aryl alkyl alcohol simple acid ester derivatives (AAASAE) group of fragrance ingredients was critically evaluated for safety following a complete literature search of the pertinent data. For high end users, calculated maximum skin exposures vary widely from 0.01% to

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