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106-36-5

106-36-5 Structure

106-36-5 Structure
IdentificationMore
[Name]

Propyl propionate
[CAS]

106-36-5
[Synonyms]

FEMA 2958
N-PROPIONIC ACID PROPYL ESTER
N-PROPYL PROPIONATE
PROPIONIC ACID N-PROPYL ESTER
PROPIONIC ACID PROPYL ESTER
PROPIONOIC ACID PROPYL ESTER
PROPYLPROPANOATE
PROPYL PROPIONATE
1-propylpropanoate
n-Propyl n-propionate
n-Propyl propanoate
Propanoicacid,propylester
propanoicacidpropylester
Propyl ester of propanoic acid
Propylester kyseliny propionove
propylesterkyselinypropionove
PROPYL PROPIONATE 98+% NATURAL FCC
PROPYL PROPIONATE 98+% FCC
Propyl propionate, 98+%
n-Propylpropropionate
[EINECS(EC#)]

203-389-7
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00009373
[Molecular Weight]

116.16
[MOL File]

106-36-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Melting point ]

−76 °C(lit.)
[Boiling point ]

122-124 °C(lit.)
[density ]

0.881 g/mL at 25 °C(lit.)
[vapor density ]

4 (vs air)
[vapor pressure ]

18.53hPa at 25℃
[FEMA ]

2958
[refractive index ]

n20/D 1.393(lit.)
[Fp ]

76 °F
[storage temp. ]

Flammables area
[solubility ]

5g/l
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

0.882 (20/4℃)
[Odor]

at 100.00 %. sharp chemical pungent sweet fruity pineapple winey
[biological source]

synthetic
[explosive limit]

1.3%(V)
[Odor Threshold]

0.058ppm
[Odor Type]

chemical
[Water Solubility ]

Soluble in water. (5g/L).
[Thermal Conductivity]

0.133 W/(m·K) at 25 ℃
[JECFA Number]

142
[Merck ]

14,7867
[BRN ]

1699993
[Henry's Law Constant]

2.6×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
[Dielectric constant]

4.7(20℃)
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
[InChIKey]

MCSINKKTEDDPNK-UHFFFAOYSA-N
[SMILES]

CCCOC(=O)CC
[LogP]

1.85 at 25℃
[Surface tension]

24.1mN/m at 298.15K
[Uses]

Solvent for nitrocellulose, paints, varnishes, lac- quers, coating agents.
[CAS DataBase Reference]

106-36-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanoic acid, propyl ester(106-36-5)
[EPA Substance Registry System]

106-36-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H332
[Precautionary statements ]

P210-P233-P240-P241-P242-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R20:Harmful by inhalation.
[Safety Statements ]

S24:Avoid contact with skin .
[RIDADR ]

UN 3272 3/PG 2
[WGK Germany ]

1
[RTECS ]

UF7100000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29155090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Flam. Liq. 3
[Toxicity]

mammal (species unspecified),LC50,inhalation,16900mg/m3 (16900mg/m3),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propionic acid-->Methanol-->Benzene-->1-Pentanethiol-->anthraquinone-β-sulfonic
[Preparation Products]

PROPIONANILIDE
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Chemical Properties]

Propyl propionate has a complex, fruity odor reminiscent of apple, banana and pineapple. It has a somewhat pleasant, bitter flavor.
[Occurrence]

Reported found among the volatile constituents of grape var. white sauvignon. Also reported found in fresh apple, apple juice, apricot, melon, papaya, pear, Gruyere de Comte cheese, rum, cider, popcorn, durian, olive, malt whiskey and coffee.
[Application]

n-propyl propionate is a fast evaporating solvent. Its linear structure contributes to effective viscosity reduction and improves solvent diffusion from coating films. It has application in automotive refinish, OEM coatings, appliance coatings, printing inks and as polymerization solvent.Its good activity yields efficient resin viscosity reduction that enables the development of lower VOC coatings. Its high electrical resistivity is beneficial in optimizing transfer efficiency in coatings applied via electrostatic spray equipment.
[Definition]

ChEBI: Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a human metabolite, a rat metabolite, a biomarker and a fungal metabolite. It is functionally related to a propan-1-ol.
[Preparation]

By esterification of propyl alcohol with the corresponding acid in the presence of concentrated H2SO4, or in the presence of BF3.
[Aroma threshold values]

Detection: 57 ppb
[Taste threshold values]

Taste characteristics at 20 ppm: sweet, lift, tropical green, fruity notes.
[General Description]

Propyl propionate and water mixtures can be separated by pervaporation using PEBA membranes. The diffusivity of pure propyl propionate in the PEBA membrane is about 28 times higher than pure water diffusivity.
[Flammability and Explosibility]

Flammable
[Purification Methods]

Treat the ester with anhydrous CuSO4, then distil it under nitrogen. [Beilstein 2 IV 707.]
[Toxics Screening Level]

The initial threshold screening level (ITSL) for n-propyl propionate is 84 micrograms per cubic meter (μg/m3) based on an annual averaging time
Spectrum DetailBack Directory
[Spectrum Detail]

Propyl propionate(106-36-5)MS
Propyl propionate(106-36-5)1HNMR
Propyl propionate(106-36-5)13CNMR
Propyl propionate(106-36-5)IR1
Propyl propionate(106-36-5)IR2
Propyl propionate(106-36-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Propyl propionate, 98+%(106-36-5)
[Alfa Aesar]

n-Propyl propionate, 99%(106-36-5)
[Sigma Aldrich]

106-36-5(sigmaaldrich)
[TCI AMERICA]

Propyl Propionate,>98.0%(GC)(106-36-5)
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