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3-Phenylpropyl acetate

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3-Phenylpropyl acetate manufacturers

3-Phenylpropyl acetate Basic information
Product Name:3-Phenylpropyl acetate
Synonyms:PHENYL-3-PROPYL-ACETATE;(3-Acetoxypropyl)benzene;1-Propanol, 3-phenyl-, acetate;3-Acetoxy-1-phenylpropane;3-phenyl-1-propanoacetate;Benzenepropanol,acetate;Benzenepropyl acetate;gamma-Phenylpropyl acetate
CAS:122-72-5
MF:C11H14O2
MW:178.23
EINECS:204-569-8
Product Categories:Alphabetical Listings;Flavors and Fragrances;O-P
Mol File:122-72-5.mol
3-Phenylpropyl acetate Structure
3-Phenylpropyl acetate Chemical Properties
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)
refractive index n20/D 1.496(lit.)
FEMA 2890 | 3-PHENYLPROPYL ACETATE
Fp >230 °F
storage temp. Store below +30°C.
solubility 0.69g/l
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. sweet balsam storax spicy cinnamon
Odor Typebalsamic
biological sourcesynthetic
Water Solubility 392.148mg/L at 25℃
JECFA Number638
Major Applicationflavors and fragrances
Cosmetics Ingredients FunctionsPERFUMING
InChI1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyJRJGKUTZNBZHNK-UHFFFAOYSA-N
SMILESCC(=O)OCCCc1ccccc1
LogP3.06
CAS DataBase Reference122-72-5(CAS DataBase Reference)
EPA Substance Registry SystemBenzenepropanol, acetate (122-72-5)
Safety Information
Safety Statements 24/25
WGK Germany 2
RTECS UB9000000
Autoignition Temperature445 °C
TSCA TSCA listed
HS Code 2915 39 00
Storage Class10 - Combustible liquids
ToxicityLD50 orally in Rabbit: 4700 mg/kg
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
3-Phenylpropyl acetate Usage And Synthesis
Chemical Properties3-Phenylpropyl acetate has a characteristic floral, spicy odor reminiscent of phenylpropyl alcohol and of geranyl acetate with a bittersweet, burning flavor suggestive of currant.
Chemical PropertiesCLEAR COLOURLESS LIQUID
OccurrenceReported 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.
Uses3-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.
PreparationBy acetylation of the corresponding alcohol.
DefinitionChEBI: The acetate ester of 3-phenylpropan-1-ol.
Taste threshold valuesTaste 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 ExplosibilityNot classified
Tag:3-Phenylpropyl acetate(122-72-5) Related Product Information
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