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W218502

Sigma-Aldrich

Isobutyl benzoate

≥98%

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About This Item

Linear Formula:
C6H5CO2CH2CH(CH3)2
CAS Number:
120-50-3
Molecular Weight:
178.23
FEMA Number:
2185
EC Number:
204-401-3
Council of Europe no.:
567
MDL number:
MFCD00048344
UNSPSC Code:
12164502
PubChem Substance ID:
24900897
Flavis number:
9.757

biological source

synthetic

grade

Kosher

reg. compliance

FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.495 (lit.)

bp

241-242 °C (lit.)

density

0.996 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

chocolate; rose

SMILES string

CC(C)COC(=O)c1ccccc1

InChI

1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChI key

KYZHGEFMXZOSJN-UHFFFAOYSA-N

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Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

204.8 °F - closed cup

flash_point_c

96.00 °C - closed cup

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
08403EE
14825KR

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[Rationale for maximum allowable concentration of isobutyl benzoate in atmospheric air of populated areas].
M V Murkova et al.
Gigiena i sanitariia, (2)(2), 15-16 (1994-02-01)
Corine Tourné-Péteilh et al.
Physical chemistry chemical physics : PCCP, 13(34), 15523-15529 (2011-07-30)
Interfacial tension, electrical conductivity, NMR self-diffusion and DLS experiments have been used to investigate the self-aggregation in water of ionic liquids associating an ibuprofenate anion and 1-alkyl-3-methylimidazolium [C(n)MIm](+) (n = 4, 6, 8) cations. Despite the short alkyl chain on

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