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 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
Odor	at 100.00 %. sweet fruity musty powdery balsam
Odor Type	balsamic
JECFA Number	856
BRN	2045961
LogP	3.23
CAS DataBase Reference	120-50-3(CAS DataBase Reference)
EPA Substance Registry System	Isobutyl benzoate (120-50-3)

Safety Information

Safety Statements	24/25
WGK Germany	2
RTECS	DH4185000
TSCA	Yes
HS Code	29163100
toxicity	The 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

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

ISOBUTYL BENZOATE Usage And Synthesis

Description	Isobutyl 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 Properties	Isobutyl benzoate has a green, floral-leafy odor reminiscent of rose and geranium.
Chemical Properties	clear colorless liquid
Occurrence	Reported found in cocoa, banana, cherry, papaya, beer and cider.
Uses	2-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.
Uses	Perfumes and flavors.
Preparation	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
Definition	ChEBI: A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.
Taste threshold values	Taste characteristics at 30 ppm: chemical with a sweet, fruity nuance.

ISOBUTYL BENZOATE Preparation Products And Raw materials

Raw materials	2-Phenyl-4,4-dimethyl-1,3-dioxolane-->Methyl benzoate-->N-BENZOYLIMIDAZOLE-->Benzaldehyde-->Benzamide-->carbon monoxide-->Iodobenzene-->Benzoic acid-->1-Chloro-2-methylpropane-->2-Methyl-1-propanol
Preparation Products	Propane, 1-(1-chloroethoxy)-2-methyl--->2-methyl-1-nitropropane-->Isobutyl isobutyrate

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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