Propyl propionate
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Propyl propionate
structure -
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CAS No:
106-36-5
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Formula:
C6H12O2
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Chemical Name:
Propyl propionate
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Synonyms:
Propanoic acid,propyl ester;Propionic acid,propyl ester;Propyl propionate;n-Propyl propionate;Propyl propanoate;n-Propyl n-propanoate;NSC 72022
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CAS No:
Description
Liquid
Liquid|colourless to pale yellow liquid with a fruity (apple, banana, pineapple) odour
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 derives from a propan-1-ol.
Propyl propionate Basic Attributes
116.16
116.16
203-389-7
G09TRV00GK
72022
DTXSID4042337
2915509000
Characteristics
26.30000
1.77
Clear colorless Liquid
0.878 g/cm3 @ Temp: 20 °C
-75.9 °C
122.5 °C
76 °F
1.398
soluble in water. (5g/L).
Flammables area
13.94 mmHg
4 (vs air)
1.3%(V)
4.02e-12 cm3/molecule*sec
Safety Information
II
3
UN 3272 3/PG 2
1
10-20-2017/10/20
24
UF7100000
Xn
P210-P261-P370 + P378
H226-H332
|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|H226 (99.73%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 1878 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Propyl propionate Use and Manufacturing
Solvent. Gas chromatography analysis standard.
Intermediates
Intermediate
1,000,000 - 10,000,000 lb
All other basic organic chemical manufacturing|Propanoic acid, propyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:116.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:68.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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