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Merck
CN

W215201

Benzyl isovalerate

≥98%, FCC, FG

Synonym(s):

Benzyl 3-methylbutyrate

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About This Item

Linear Formula:
(CH3)2CHCH2CO2CH2C6H5
CAS Number:
Molecular Weight:
192.25
FEMA Number:
2152
Council of Europe no.:
453
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.458
EC Number:
203-106-7
NACRES:
NA.21
MDL number:
Organoleptic:
fruity; sweet
Grade:
FG, Fragrance grade, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Segment

grade

FG, Fragrance grade, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥98%

composition

contains IFRA restricted Benzyl benzoate and Benzyl alcohol

refractive index

n20/D 1.488 (lit.)

bp

116 °C/9 mmHg (lit.)

density

0.988 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

benzyl alcohol, benzyl benzoate

organoleptic

fruity; sweet

SMILES string

CC(C)CC(=O)OCc1ccccc1

InChI

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

InChI key

HVJKZICIMIWFCP-UHFFFAOYSA-N



Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves



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