ChemicalBook--->CAS DataBase List--->122-67-8

122-67-8

122-67-8 Structure

122-67-8 Structure
IdentificationMore
[Name]

Isobutyl cinnamate
[CAS]

122-67-8
[Synonyms]

2-METHYLPROPYL 3-PHENYLPROPENOATE
2-METHYLPROPYL BETA-PHENYLACRYLATE
FEMA 2193
ISOBUTYL CINNAMATE
2-methylpropyl3-phenyl-2-propenoate
2-Propenoicacid,3-phenyl-,2-methylpropylester
3-phenyl-2-propenoicaci2-methylpropylester
Cinnamic acid, isobutyl ester
cinnamicacid,isobutylester
Isobutyl (2E)-3-phenyl-2-propenoate
Isobutyl cinammate
Labdanol
ISOBUTYL CINNAMATE, 98+%
ISOBUTYL CINNAMATE 98+% FCC
Isobutylcinnamat
trans-Cinnamic acid isobutyl ester
3-Phenylpropenoic acid 2-methylpropyl ester
3-Phenylpropenoic acid isobutyl ester
[EINECS(EC#)]

204-564-0
[Molecular Formula]

C13H16O2
[MDL Number]

MFCD00038289
[Molecular Weight]

204.26
[MOL File]

122-67-8.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless oil; amber fragrance.Soluble in two volumes of 70% alcohol. Combustible.
[Boiling point ]

287 °C (lit.)
[density ]

1 g/mL at 25 °C(lit.)
[FEMA ]

2193
[refractive index ]

n20/D 1.54(lit.)
[Fp ]

237 °F
[storage temp. ]

Sealed in dry,Room Temperature
[Odor]

at 100.00 %. sweet balsam fruity like labdanum
[biological source]

synthetic
[Odor Type]

balsamic
[JECFA Number]

664
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
[InChIKey]

IQZUZPKOFSOVET-CMDGGOBGSA-N
[SMILES]

CC(C)COC(=O)\C=C\c1ccccc1
[LogP]

3.830 (est)
[Uses]

Isobutyl Cinnamate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid of fruity odor. it is miscible with alco- hol, chloroform, and ether but is practically insoluble in water. storage should be in glass or tin-lined containers. it is used in fruit flavors such as cherry and prune with applications in beverages, ice cream, candy, and baked goods at 1–5 ppm.
[CAS DataBase Reference]

122-67-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester(122-67-8)
[EPA Substance Registry System]

122-67-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[WGK Germany ]

2
[RTECS ]

GD9550000
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Levenstein, 1975).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-1-propanol
Hazard InformationBack Directory
[Description]

Isobutyl cinnamate has a sweet, fruity, balsamic odor and a sweet taste reminiscent of currant. Prepared by heating cinnamyl chloride and isobutyl alcohol.
[Chemical Properties]

Colorless oil; amber fragrance.Soluble in two volumes of 70% alcohol. Combustible.
[Chemical Properties]

Isobutyl cinnamate has a fruity, balsamic, peach, sweet odor; sweet taste reminiscent of currant
[Occurrence]

Reported found in kumquat peel oil.
[Definition]

ChEBI: Isobutyl cinnamate is a cinnamate ester.
[Preparation]

By heating cinnamyl chloride and isobutyl alcohol
[General Description]

Isobutyl cinnamate can be used as a food flavoring agent and fragrance ingredient.
[Metabolism]

Since the hydrolysis of ester linkages in foreign compounds may be catalysed by many different esterases, which are to be found in all animals and bacteria and have, for the most part, a low degree of substrate specificity (Parke, 1968), it seems probable that isobutyl cinnamate, like other esters, would be hydrolysed to form the corresponding acid and alcohol.
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutyl cinnamate(122-67-8)1HNMR
Isobutyl cinnamate(122-67-8)IR
Isobutyl cinnamate(122-67-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

122-67-8(sigmaaldrich)
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