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120-50-3

120-50-3 Structure

120-50-3 Structure
IdentificationMore
[Name]

ISOBUTYL BENZOATE
[CAS]

120-50-3
[Synonyms]

2-METHYLPROPYL BENZOATE
BENZOIC ACID ISOBUTYL ESTER
FEMA 2185
ISOBUTYL BENZOATE
(2-methyl-1-propyl)benzoate
Benzoicacid,2-methylpropylester
benzoicacid2-methylpropylester
ISOBUTYL BENZOATE 98+%
Isobutylbenzoat
Benzoic acid isobutyl
[EINECS(EC#)]

204-401-3
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00048344
[Molecular Weight]

178.23
[MOL File]

120-50-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

241-242 °C(lit.)
[density ]

0.996 g/mL at 25 °C(lit.)
[FEMA ]

2185
[refractive index ]

n20/D 1.495(lit.)
[Fp ]

205 °F
[storage temp. ]

Store at room temperature
[solubility ]

Insoluble in water, miscible with alcohol and oils
[form ]

Liquid
[color ]

Clear colorless
[Odor]

at 100.00 %. sweet fruity musty powdery balsam
[Odor Type]

balsamic
[JECFA Number]

856
[BRN ]

2045961
[Dielectric constant]

5.9(-7℃)
[Cosmetics Ingredients Functions]

PRESERVATIVE
FRAGRANCE
SOLVENT
[Cosmetic Ingredient Review (CIR)]

ISOBUTYL BENZOATE (120-50-3)
[LogP]

3.23
[Uses]

Perfumes and flavors.
[CAS DataBase Reference]

120-50-3(CAS DataBase Reference)
[EPA Substance Registry System]

Isobutyl benzoate (120-50-3)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[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).
Hazard InformationBack Directory
[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]

clear colorless liquid
[Chemical Properties]

Isobutyl benzoate has a green, floral-leafy odor reminiscent of rose and geranium.
[Occurrence]

Reported found in cocoa, banana, cherry, papaya, beer and cider.
[Definition]

ChEBI: A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.
[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
[Taste threshold values]

Taste characteristics at 30 ppm: chemical with a sweet, fruity nuance.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBUTYL BENZOATE(120-50-3)MS
ISOBUTYL BENZOATE(120-50-3)1HNMR
ISOBUTYL BENZOATE(120-50-3)13CNMR
ISOBUTYL BENZOATE(120-50-3)IR1
ISOBUTYL BENZOATE(120-50-3)IR2
ISOBUTYL BENZOATE(120-50-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isobutyl benzoate, 98%(120-50-3)
[Alfa Aesar]

Isobutyl benzoate, 99%(120-50-3)
[Sigma Aldrich]

120-50-3(sigmaaldrich)
[TCI AMERICA]

Benzoic Acid Isobutyl Ester,>99.0%(GC)(120-50-3)
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