ChemicalBook--->CAS DataBase List--->122-72-5

122-72-5

122-72-5 Structure

122-72-5 Structure
IdentificationMore
[Name]

3-PHENYLPROPYL ACETATE
[CAS]

122-72-5
[Synonyms]

1-ACETOXY-3-PHENYLPROPANE
3-PHENYL-1-PROPANOL ACETATE
3-PHENYL-1-PROPYL ACETATE
3-PHENYLPROPYL ACETATE
ACETIC ACID 3-PHENYLPROPYL ESTER
BETA-PHENYLPROPYL ACETATE
DIHYDRO CINNAMIC ACETATE
FEMA 2890
GAMMA-PHENYL-N-PROPYL ACETATE
HYDROCINNAMYL ACETATE
HYDROXYCINNAMYL ACETATE
PHENYL-3-PROPYL-ACETATE
PHENYL 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
[EINECS(EC#)]

204-569-8
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00026216
[Molecular Weight]

178.23
[MOL File]

122-72-5.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[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
[refractive index ]

n20/D 1.496(lit.)
[Fp ]

>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
[Odor Type]

balsamic
[Water Solubility ]

392.148mg/L at 25℃
[JECFA Number]

638
[LogP]

3.06
[CAS DataBase Reference]

122-72-5(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenepropanol, acetate (122-72-5)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[RTECS ]

UB9000000
[Autoignition Temperature]

445 °C
[TSCA ]

Yes
[HS Code ]

29153900
[Toxicity]

LD50 orally in Rabbit: 4700 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Phenyl-1-propanol-->Cinnamyl acetate-->Cinnamylcetate-->Ethyl acetate-->Isopropenyl acetate-->Sodium acetate-->Acetyl chloride-->Vinyl acetate-->1-Chloro-3-phenylpropane-->Acetic anhydride-->Ammonium acetate-->Acetic acid
[Preparation Products]

DODECYL ACETATE
Hazard InformationBack Directory
[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.
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[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.
[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]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYLPROPYL ACETATE(122-72-5)MS
3-PHENYLPROPYL ACETATE(122-72-5)1HNMR
3-PHENYLPROPYL ACETATE(122-72-5)13CNMR
3-PHENYLPROPYL ACETATE(122-72-5)IR1
3-PHENYLPROPYL ACETATE(122-72-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Phenylpropyl acetate, 98+%(122-72-5)
[Alfa Aesar]

3-Phenyl-1-propyl acetate, 98%(122-72-5)
[Sigma Aldrich]

122-72-5(sigmaaldrich)
[TCI AMERICA]

3-Phenylpropyl Acetate,>98.0%(GC)(122-72-5)
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