ISOBUTYL BENZOATE

ISOBUTYL BENZOATE Basic information
Product Name:ISOBUTYL BENZOATE
Synonyms:Benzoicacid,2-methylpropylester;benzoicacid2-methylpropylester;ISOBUTYL BENZOATE;FEMA 2185;BENZOIC ACID ISOBUTYL ESTER;2-METHYLPROPYL BENZOATE;ISOBUTYL BENZOATE 98+%;Isobutylbenzoat
CAS:120-50-3
MF:C11H14O2
MW:178.23
EINECS:204-401-3
Product Categories:C10 to C11;Carbonyl Compounds;Esters;Building Blocks;C10 to C11;Carbonyl Compounds;Organics;Alphabetical Listings;Flavors and Fragrances;I-L;Chemical Synthesis;Organic Building Blocks
Mol File:120-50-3.mol
ISOBUTYL BENZOATE Structure
ISOBUTYL BENZOATE Chemical Properties
Boiling point 241-242 °C(lit.)
density 0.996 g/mL at 25 °C(lit.)
FEMA 2185 | ISOBUTYL BENZOATE
refractive index n20/D 1.495(lit.)
Fp 205 °F
form Liquid
color Clear colorless
Odorat 100.00 %. sweet fruity musty powdery balsam
Odor Typebalsamic
JECFA Number856
BRN 2045961
LogP3.23
CAS DataBase Reference120-50-3(CAS DataBase Reference)
EPA Substance Registry SystemIsobutyl benzoate (120-50-3)
Safety Information
Safety Statements 24/25
WGK Germany 2
RTECS DH4185000
TSCA Yes
HS Code 29163100
toxicityThe acute oral LD50 value in rats was eported as 3.7 mg/kg (3.19-4.29 mg/kg) (Levenstein,1973). The acute dermal LD 50 value in rabbits was reported as > 5 ml/kg (Levenstein, 1973).
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
ISOBUTYL BENZOATE Usage And Synthesis
DescriptionIsobutyl benzoate has a floral-leafy odor reminiscent of rose and geranium. May be prepared from benzoic acid and isobutyl alcohol in the presence of HCL catalyst; or by ester exchange between methylbenzoate and isobutyl alcohol in the presence of potassium isobutylate.
Chemical PropertiesIsobutyl benzoate has a green, floral-leafy odor reminiscent of rose and geranium.
Chemical Propertiesclear colorless liquid
OccurrenceReported found in cocoa, banana, cherry, papaya, beer and cider.
Uses2-Methylpropyl Ester Benzoic Acid is an volatile aroma compound found in natural wild cherry wine, litchi ice wine and squid. 2-Methylpropyl Ester Benzoic Acid is also a found as a component in essential oils like Dittrichia graveolens (L.) Greuter, Hypericum rumeliacum Boiss. and Alpinia Officinarum rhizomes.
UsesPerfumes and flavors.
PreparationFrom benzoic acid and isobutyl alcohol in the presence of HCl catalyst, or by ester exchange between methylbenzoate and isobutyl alcohol in the presence of potassium isobutylate
DefinitionChEBI: A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.
Taste threshold valuesTaste characteristics at 30 ppm: chemical with a sweet, fruity nuance.
2-Ethylhexyl 4-hydroxybenzoate ISOBUTYL GALLATE Androstanolone 17-benzoate Isobutylparaben 2-Ethylhexyl 4-dimethylaminobenzoate BIS(2-ETHYLHEXYL)TETRACHLOROPHTHALATE TRIMETHYLOLETHANE TRIBENZOATE MENTHYL SALICYLATE PHORBOL 12,13-DIBENZOATE CATALPIN 4-AMINOBENZOIC ACID ISOBUTYL ESTER PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER Diisobutyl phthalate (2R)-(-)-2-METHYLGLYCIDYL 4-NITROBENZOATE Isobutyl salicylate Bis(2-ethylhexyl) phthalate Picroside II HAMAMELITANNIN

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