ChemicalBook--->CAS DataBase List--->122-70-3

122-70-3

122-70-3 Structure

122-70-3 Structure
IdentificationMore
[Name]

2-PHENYLETHYL PROPIONATE
[CAS]

122-70-3
[Synonyms]

2-PHENYLETHYL PROPIONATE
BETA PHENYL ETHYL PROPIONATE
B-PHENYLETHYL PROPIONATE
FEMA 2867
FEMA 3867
PHENETHYL PROPIONATE
PHENYL ETHYL PROPIONATE
2-Phenethyl propionate
2-Phenyl ethyl propanoate
2-Phenylethanol, propanoate
Benzylcarbinyl propionate
benzylcarbinylpropionate
ENT 18544
ent18544
Phenethyl alcohol, propionate
Phenethyl propanoate
phenylethyl
Phenylethyl n-propionate
phenylethyl propanoate
Propionic acid, 2-phenylethyl ester
[EINECS(EC#)]

203-013-1
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00027008
[Molecular Weight]

178.23
[MOL File]

122-70-3.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Melting point ]

<25 °C
[Boiling point ]

245 °C(lit.)
[density ]

1.007 g/mL at 25 °C(lit.)
[vapor pressure ]

6.853Pa at 25℃
[FEMA ]

2867
[refractive index ]

n20/D 1.493(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. floral red rose fruity honey balsam storax
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

136mg/L at 25℃
[JECFA Number]

990
[Henry's Law Constant]

3.9×10-1 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
[InChIKey]

HVGZQCSMLUDISR-UHFFFAOYSA-N
[SMILES]

CCC(=O)OCCc1ccccc1
[LogP]

3.06
[CAS DataBase Reference]

122-70-3(CAS DataBase Reference)
[EPA Substance Registry System]

2-Phenylethyl propionate (122-70-3)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

AJ3255000
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HS Code ]

29155090
[Storage Class]

10 - Combustible liquids
[Hazardous Substances Data]

122-70-3(Hazardous Substances Data)
[Toxicity]

LD50 orl-rat: 4000 mg/kg FCTXAV 12,807,74
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenethyl alcohol-->1-Oxopropylphosphonic acid diethyl ester-->2-BROMOPHENETHYLALCOHOL-->(2-Bromoethyl)benzene-->Ethyl propionate-->Methyl propionate-->Propionaldehyde-->Propionic-2,3-14C1 acid (8CI)-->Propionic anhydride-->Benzene
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Chemical Properties]

Phenethyl propionate has a very sweet odor reminiscent of red rose with a fruity undertone. It has a honey-like, warm, sweet raspberry and strawberry-like flavor.
[Occurrence]

Reported found in peanut (Arachis hypogaea), guava fruit, guava peel, Camembert cheese, Gruyere de Comte cheese, other cheese, beer, rum, cider, roasted peanut and apple brandy.
[Uses]

flavors and fragrances
[Definition]

ChEBI: 2-Phenylethyl propanoate is a member of benzenes.
[Preparation]

By esterification of phenyl alcohol with propionic acid.
[General Description]

Phenethyl propionate can be used as a flavoring agent and fragrance ingredient. It is reported to be found in commercial wines.
[Safety Profile]

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

2-PHENYLETHYL PROPIONATE(122-70-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Phenylethylpropionate,98+%(122-70-3)
[Alfa Aesar]

2-Phenylethyl propionate, 97%(122-70-3)
[Sigma Aldrich]

122-70-3(sigmaaldrich)
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