W218502
Isobutyl benzoate
≥98%
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About This Item
Linear Formula:
C6H5CO2CH2CH(CH3)2
CAS Number:
Molecular Weight:
178.23
FEMA Number:
2185
Council of Europe no.:
567
UNSPSC Code:
12164502
PubChem Substance ID:
EC Number:
204-401-3
Flavis number:
9.757
MDL number:
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
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
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
204.8 °F - closed cup
flash_point_c
96.00 °C - closed cup
ppe
Eyeshields, Gloves
Regulatory Information
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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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