103-93-5

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103-93-5 Structure

Identification	Back Directory
[Name] P-TOLYL ISOBUTYRATE
[CAS] 103-93-5
[Synonyms] FEMA 3075 p-Tolylisobutyrat P-TOLYL ISOBUTYRATE P-CRESYL ISOBUTYRATE P-CRESOL ISOBUTYRATE Cresyl-4-isobutyrate CRESYLISOBUTYRAT-PARA PARA TOLYL ISOBUTYRATE PARA CRESYL ISOBUTYRATE p-methylphenylisobutyrate p-Methylphenyl isobutyrate p-Tolyl Isobutyrate ISOBUTYRIC ACID P-TOLYL ESTER P-TOLYL ISOBUTYRATE 97+% FCC 4-Methylphenyl 2-methylpropanoate 2-Methylpropionic acid p-tolyl ester Isobutyric acid 4-methylphenyl ester 2-methyl-propanoicaci4-methylphenylester Propanoicacid,2-methyl-,4-methylphenylester 2-Methylpropanoic acid 4-methylphenyl ester 2-methylpropionic acid (4-methylphenyl) ester
[EINECS(EC#)] 203-159-6
[Molecular Formula] C11H14O2
[MDL Number] MFCD00026440
[MOL File] 103-93-5.mol
[Molecular Weight] 178.23

Chemical Properties	Back Directory
[Boiling point ] 237 °C(lit.)
[density ] 0.993 g/mL at 25 °C(lit.)
[FEMA ] 3075 \| P-TOLYL ISOBUTYRATE
[refractive index ] n20/D 1.487(lit.)
[Fp ] 205 °F
[solubility ] insoluble in water, soluble in alcohol and oils
[form ] clear liquid
[color ] Colorless to Light yellow
[Odor] at 1.00 % in dipropylene glycol. animal floral lily narcissus green fruity
[biological source] synthetic
[Odor Type] animal
[JECFA Number] 701
[LogP] 2.89
[Uses] Flavoring.
[EPA Substance Registry System] Propanoic acid, 2-methyl-, 4-methylphenyl ester (103-93-5)

Safety Data	Back Directory
[WGK Germany ] 2
[RTECS ] NQ5460000
[HS Code ] 29156000
[Safety Profile] Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity] The acute oral LD₅₀ value in rats was reported as 4 ml/kg (3.53-4.58 ml/kg) and the acute dermal LD₅₀ value in rabbits as 3.97 ml/kg (Levenstein, 1974).

Raw materials And Preparation Products	Back Directory
[Raw materials] Isobutyric acid-->p-Cresol

Hazard Information	Back Directory
[Chemical Properties] p-Tolyl isobutyrate has a very strong, lily-narcissus odor.
[Occurrence] Has apparently not been reported to occur in nature.
[Definition] ChEBI: P-Tolyl isobutyrate is a benzoate ester and a member of phenols.
[Preparation] By esterification of p-cresol with isobutyric acid.

Spectrum Detail	Back Directory
[Spectrum Detail] P-TOLYL ISOBUTYRATE(103-93-5)MS P-TOLYL ISOBUTYRATE(103-93-5)¹HNMR P-TOLYL ISOBUTYRATE(103-93-5)¹³CNMR P-TOLYL ISOBUTYRATE(103-93-5)IR1

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