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Merck
CN

W221007

Isobutyl phenylacetate

≥98%, FCC, FG

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About This Item

Linear Formula:
C6H5CH2CO2CH2CH(CH3)2
CAS Number:
102-13-6
Molecular Weight:
192.25
FEMA Number:
2210
Council of Europe no.:
2160
UNSPSC Code:
12164502
PubChem Substance ID:
24900921
Flavis number:
9.788
EC Number:
203-007-9
NACRES:
NA.21
MDL number:
MFCD00026482
Organoleptic:
cocoa; honey; floral; sweet
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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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

biological source

synthetic

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

Quality Level

300, 400

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Related Categories

Biochem/physiol Actions

Taste at 5 ppm

Other Notes

Natural occurrence: Cocoa.

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ6522
SHBN5683
STBK2242
STBJ7102
STBJ2706

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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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