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54815-13-3

54815-13-3 Structure

54815-13-3 Structure
IdentificationBack Directory
[Name]

1,1-diethoxynonane
[CAS]

54815-13-3
[Synonyms]

1,1-diethoxynonane
Nonanaldiethylacetal
Nonane, 1,1-diethoxy-
NonanalDiethylAcetal>
Nonyl Aldehyde Diethyl Acetal
pelargonaldehyde diethyl acetal
[EINECS(EC#)]

259-360-4
[Molecular Formula]

C13H28O2
[MDL Number]

MFCD00672806
[MOL File]

54815-13-3.mol
[Molecular Weight]

216.36
Chemical PropertiesBack Directory
[Boiling point ]

66°C/0.3mmHg(lit.)
[density ]

0.844±0.06 g/cm3(Predicted)
[refractive index ]

1.4190 to 1.4230
[solubility ]

Practically insoluble in water, soluble in alcohol and oils.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. aldehydic floral rose
[Odor Type]

aldehydic
[InChI]

InChI=1S/C13H28O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-12H2,1-3H3
[InChIKey]

RJMSGTVQHHFVLK-UHFFFAOYSA-N
[SMILES]

C(OCC)(OCC)CCCCCCCC
[LogP]

4.588 (est)
[NIST Chemistry Reference]

Nonane, 1,1-diethoxy-(54815-13-3)
[EPA Substance Registry System]

Nonane, 1,1-diethoxy-(54815-13-3)
Safety DataBack Directory
[TSCA ]

TSCA listed
[HS Code ]

2911.00.5000
Hazard InformationBack Directory
[Uses]

1,1-Diethoxynonane-d10 is a deuterated labeled 1,1-Diethoxynonane[1].
[Preparation]

By condensation of Nonanal with Ethyl alcohol.
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
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