3-PHENYLPROPYL ACETATE
Synonym(s):3-Phenylpropyl acetate;Hydroxycinnamyl acetate, ß-Phenylpropyl acetate
- CAS NO.:122-72-5
- Empirical Formula: C11H14O2
- Molecular Weight: 178.23
- MDL number: MFCD00026216
- EINECS: 204-569-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:30
What is 3-PHENYLPROPYL ACETATE?
Chemical properties
CLEAR COLOURLESS LIQUID
Chemical properties
3-Phenylpropyl acetate has a characteristic floral, spicy odor reminiscent of phenylpropyl alcohol and of geranyl acetate with a bittersweet, burning flavor suggestive of currant.
Occurrence
Reported found among the constituents of the essential oils of narcissus and Heracleum candicans and probably in cinnamon. It is also reported found in guava fruit, guava peel, melon, cassia leaf and rum.
The Uses of 3-PHENYLPROPYL ACETATE
3-Phenylpropyl Acetate is used in perfume compositions as a modifier in Hyacinth, Rose, Oriental bases, Lilac and Lily, Reseda, etc., and it blends well with the “rose alcohols”, the Linalool family, Styrax and Ylang, Labdanum, Amylsalicylate, etc. Its neutral sweetness makes it versatile, but it does not lend much odour power to a composition. Smaller amounts are used in spice flavours, fruit complexes, and certain berry flavors, including Cherry. The concentration in such flavours is equivalent to 0.5 to 10 ppm in the functional product.
Definition
ChEBI: The acetate ester of 3-phenylpropan-1-ol.
Preparation
By acetylation of the corresponding alcohol.
Taste threshold values
Taste characteristics at 10 ppm: balsamic, floral, fruity, sappy, spicy and cinnamic with powdery nuances.
Synthesis Reference(s)
Journal of the American Chemical Society, 117, p. 4413, 1995 DOI: 10.1021/ja00120a030
Flammability and Explosibility
Not classified
Properties of 3-PHENYLPROPYL ACETATE
Melting point: | -60 °C |
Boiling point: | 244 °C(lit.) |
Density | 1.012 g/mL at 25 °C(lit.) |
vapor pressure | <0.01 hPa (20 °C) |
FEMA | 2890 | 3-PHENYLPROPYL ACETATE |
refractive index | n |
Flash point: | >230 °F |
storage temp. | Store below +30°C. |
solubility | 0.69g/l |
form | clear liquid |
color | Colorless to Almost colorless |
Odor | at 100.00 %. sweet balsam storax spicy cinnamon |
Water Solubility | 392.148mg/L at 25℃ |
JECFA Number | 638 |
CAS DataBase Reference | 122-72-5(CAS DataBase Reference) |
EPA Substance Registry System | Benzenepropanol, acetate (122-72-5) |
Safety information for 3-PHENYLPROPYL ACETATE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-PHENYLPROPYL ACETATE
New Products
Tert-butyl bis(2-chloroethyl)carbamate 4-Methylphenylacetic acid N-Boc-D-alaninol N-BOC-D/L-ALANINOL N-octanoyl benzotriazole 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin- 2(1H)-one Furan-2,5-Dicarboxylic Acid DIETHYL AMINOMALONATE HYDROCHLORIDE 1,1’-CARBONYLDIIMIDAZOLE R-2-BENZYLOXY PROPIONIC ACID 1,1’-CARBONYLDI (1,2-4 TRIAZOLE) N-METHYL INDAZOLE-3-CARBOXYLIC ACID (2-Hydroxyphenyl)acetonitrile 4-Bromopyrazole 5-BROMO-2CYANO PYRIDINE 5,6-Dimethoxyindanone 5-broMo-2-chloro-N-cyclopentylpyriMidin-4-aMine 2-(Cyanocyclohexyl)acetic acid 4-methoxy-3,5-dinitropyridine 1-(4-(aminomethyl)benzyl)urea hydrochloride 2-aminopropyl benzoate hydrochloride diethyl 2-(2-((tertbutoxycarbonyl)amino) ethyl)malonate tert-butyl 4- (ureidomethyl)benzylcarbamate Ethyl-2-chloro((4-methoxyphenyl)hydrazono)acetateRelated products of tetrahydrofuran
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