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W221007

Sigma-Aldrich

Isobutyl phenylacetate

≥98%, FCC, FG

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Linear Formula:
C6H5CH2CO2CH2CH(CH3)2
CAS Number:
102-13-6
Molecular Weight:
192.25
FEMA Number:
2210
EC Number:
203-007-9
Council of Europe no.:
2160
MDL number:
MFCD00026482
UNSPSC Code:
12164502
PubChem Substance ID:
24900921
Flavis number:
9.788
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

Assay

≥98%

refractive index

n20/D 1.487 (lit.)

bp

253 °C (lit.)

density

0.986 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

cocoa; honey; floral; sweet

SMILES string

CC(C)COC(=O)Cc1ccccc1

InChI

1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChI key

RJASFPFZACBKBE-UHFFFAOYSA-N

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Related Categories

Biochem/physiol Actions

Taste at 5 ppm

Other Notes

Natural occurrence: Cocoa.

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 30, 66-66 (2005)
Kye Chung Park et al.
Journal of insect physiology, 78, 33-46 (2015-05-06)
Phytophagous insects detect volatile compounds produced by host and non-host plants, using species-specific sets of olfactory receptor neurons (ORNs). To investigate the relationship between the range of host plants and the profile of ORNs, single sensillum recordings were carried out

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