ChemicalBook--->CAS DataBase List--->2315-68-6

2315-68-6

2315-68-6 Structure

2315-68-6 Structure
IdentificationMore
[Name]

PROPYL BENZOATE
[CAS]

2315-68-6
[Synonyms]

BENZOIC ACID N-PROPYL ESTER
BENZOIC ACID PROPYL ESTER
FEMA 2931
N-PROPYL BENZOATE
PROPYL BENZOATE
1-propylbenzoate
n-Propylbenzoate(BNP)
Benzoic acid propyl
[EINECS(EC#)]

219-020-8
[Molecular Formula]

C10H12O2
[MDL Number]

MFCD00009370
[Molecular Weight]

164.2
[MOL File]

2315-68-6.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS LIQUID
[Melting point ]

-51 °C
[Boiling point ]

229.5 °C/766 mmHg (lit.)
[density ]

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

0.181 hPa (25 °C)
[FEMA ]

2931
[refractive index ]

n20/D 1.501(lit.)
[Fp ]

209 °F
[storage temp. ]

Store below +30°C.
[solubility ]

0.35g/l
[form ]

clear liquid
[color ]

Colorless
[Odor]

at 100.00 %. balsam nutty
[Odor Type]

balsamic
[Water Solubility ]

251.4mg/L(20 ºC)
[JECFA Number]

853
[Dielectric constant]

2.3700000000000001
[Cosmetics Ingredients Functions]

FRAGRANCE
PRESERVATIVE
[InChI]

1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
[InChIKey]

UDEWPOVQBGFNGE-UHFFFAOYSA-N
[SMILES]

CCCOC(=O)c1ccccc1
[LogP]

3.26
[CAS DataBase Reference]

2315-68-6(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, propyl ester (2315-68-6)
Safety DataBack Directory
[Safety Statements ]

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

3
[TSCA ]

Yes
[HS Code ]

29163100
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl benzoate
[Preparation Products]

Propyl formate
Hazard InformationBack Directory
[Description]

Propyl benzoate is an organic chemical compound used as a food additive. It is an ester.
[Chemical Properties]

CLEAR COLORLESS LIQUID
[Chemical Properties]

Propyl benzoate has a balsamic odor reminiscent of nuts with a sweet, fruity, nut-like taste.
[Occurrence]

Reported found in sweet cherry, clove stem and butter.
[Uses]

Propyl benzoate was used to extract desipramine, a model compound used in the electrochemical analysis by a combined hollow fiber-based liquid three-phase microextraction and voltammetric method.
[Uses]

Propyl benzoate has a nutty odor and sweet fruity or nut-like taste, and as such, it is used as a synthetic flavoring agent in foods. It also has antimicrobial properties and is used as a preservative in cosmetics. It occurs naturally in the sweet cherry and in clove stems, as well as in butter.
[Application]

Propyl benzoate is used in flavor compositions, again partly for its nut-like effect in Hazelnut and Walnut imitation, also as a powerful undertone in fruit complexes, sometimes in wine-gum flavors, imitation Blackcurrant, etc. The concentration used is equivalent to about 10 to 50 ppm in the functional product.
[Definition]

ChEBI: Propyl benzoate is a benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste. It has a role as a flavouring agent, a plant metabolite and an antimicrobial food preservative.
[Preparation]

By exchange between methyl benzoate and propyl alcohol in the presence of potassium propylate; by heating benzamide sulfate with propyl alcohol at 90 to 95°C.
[Reactions]

Propyl benzoate can be synthesized by the transesterification of methyl benzoate with propanol.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 2464, 1950 DOI: 10.1021/ja01162a029
[General Description]

The adsorption data of propyl benzoate was obtained by frontal analysis on a symmetry-C18 column by a mixture of methanol and water as the mobile phase.
Spectrum DetailBack Directory
[Spectrum Detail]

PROPYL BENZOATE(2315-68-6)MS
PROPYL BENZOATE(2315-68-6)1HNMR
PROPYL BENZOATE(2315-68-6)13CNMR
PROPYL BENZOATE(2315-68-6)IR1
PROPYL BENZOATE(2315-68-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Propyl benzoate, 99%(2315-68-6)
[Sigma Aldrich]

2315-68-6(sigmaaldrich)
[TCI AMERICA]

Propyl Benzoate,>99.0%(GC)(2315-68-6)
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