ChemicalBook--->CAS DataBase List--->122-68-9

122-68-9

122-68-9 Structure

122-68-9 Structure
IdentificationBack Directory
[Name]

3-PHENYLPROPYL CINNAMATE
[CAS]

122-68-9
[Synonyms]

FEMA 2894
phenylpropylcinnamate
3-Phenylproylcinnamate
3-Phenylpropylcinnamat
HYDROCINNAMYL CINNAMATE
3-PHENYLPROPYL CINNAMATE
B-PHENYLPROPYL CINNAMATE
cinnamicacid,3-phenylpropylester
3-Phenylacrylic acid 3-phenylpropyl ester
3-phenyl-2-propenoicaci3-phenylpropylester
3-phenyl-2-propenoicacid3-phenylpropylester
2-Propenoicacid,3-phenyl-,3-phenylpropylester
(Z)-3-phenyl-2-propenoic acid 3-phenylpropyl ester
[EINECS(EC#)]

204-565-6
[Molecular Formula]

C18H18O2
[MDL Number]

MFCD00048269
[MOL File]

122-68-9.mol
[Molecular Weight]

266.33
Chemical PropertiesBack Directory
[Boiling point ]

420℃
[density ]

1.091
[FEMA ]

2894 | 3-PHENYLPROPYL CINNAMATE
[refractive index ]

1.5200 (estimate)
[Fp ]

261℃
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[form ]

Colorless, slightly viscous liquid.
[Odor]

at 100.00 %. sweet balsam spicy apricot
[Odor Type]

balsamic
[JECFA Number]

672
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2
[InChIKey]

LYRAHIUDQRJGGZ-UHFFFAOYSA-N
[SMILES]

C(OCCCC1=CC=CC=C1)(=O)C=CC1=CC=CC=C1
[LogP]

4.64
[CAS DataBase Reference]

122-68-9
[EPA Substance Registry System]

2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester (122-68-9)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Keating, 1972).
Hazard InformationBack Directory
[Chemical Properties]

3-Phenylpropyl cinnamate has a sweet, heavy, floral-fruity odor with a balsamic note. It has a sweet flavor suggestive of cocoa.
[Occurrence]

Reported found in Oriental storax; American storax; Peru balsam from Honduras and Sumatra benzoin.
[Uses]

3-Phenylpropyl cinnamate is occasionally used in perfume compositions, mainly as a fixativelblender in Mimosa, Rose, Oriental bases, floral and balsamic types, etc. It blends excellently with the Ionones and Methylionones, Labdanum, Castoreum, Styrax, etc., for heavy and lasting fragrances. It is also used to some extentin flavor compositions, e. g. in imitation Apricot, Butter, Caramel, Chocolate, Cocoa, Coconut, in Grape types, fruit and spice blends, etc. The concentration used is equivalent to about 1 to 5 ppm in the finished product.
[Definition]

ChEBI:3-Phenylpropyl cinnamate is a cinnamate ester.
[Preparation]

From phenylpropyl alcohol and methylcinnamate.
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