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629-31-2

629-31-2 Structure

629-31-2 Structure
IdentificationBack Directory
[Name]

heptanal oxime
[CAS]

629-31-2
[Synonyms]

NSC 2191
Heptanoxime
heptanal oxime
enanthaldoxime
Heptanaldoxime
n-Heptanal oxime
[EINECS(EC#)]

211-086-6
[Molecular Formula]

C7H15NO
[MDL Number]

MFCD00019971
[MOL File]

629-31-2.mol
[Molecular Weight]

129.2
Chemical PropertiesBack Directory
[Melting point ]

57.5℃
[Boiling point ]

195℃
[density ]

0.88±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.58269 (23.2℃)
[Fp ]

99.7±6.3℃
[EPA Substance Registry System]

Heptanal, oxime (629-31-2)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydroxylamine hydrochloride-->Heptaldehyde-->enanthaldehyde oxime
[Preparation Products]

1-AMINOHEPTANE-->DIHEPTYLAMINE
Safety DataBack Directory
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Chemical Properties]

White flaky crystals. Melting point 57-58℃, boiling point 195℃, 100.5℃ (1.87kPa), insoluble in water, soluble in ethanol and ether.
[Purification Methods]

Separate the cis(Z) and trans(E) oximes by liquid chromatography through a silica gel column and eluting with pet ether (b 40-65o)/EtOAc (50:10) at a flow rate of 2-3.4mL/sec where the trans-isomer comes through first and is a liquid with n D 1.38512 followed by the cis-isomer which is a solid and crystallises from 60% aqueous EtOH with m 55o. They are identified by TLC on 0.2mm silica gel G by eluting with *C6H6/EtOAc (50/10) and visualizing with I2 vapour: the trans-isomer has RF 0.6 and the cis-isomer has RF 0.5 [Pejkovic-Tadic et al. J Chromatography 21 239 1966, Emmous & Pagano J Am Chem Soc 77 4557 1955]. [Beilstein 1 H 698, 1 I 358, 1 II 752, 1 III 2850.]
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