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462-18-0

462-18-0 Structure

462-18-0 Structure
IdentificationMore
[Name]

7-TRIDECANONE
[CAS]

462-18-0
[Synonyms]

7-TRIDECANONE
DIHEXYL KETONE
DI-N-HEXYL KETONE
ENANTHONE
di-Normal-hexyl ketone
Hexyl ketone
hexylketone
tridecan-7-one
Tridecanone
7-TRIDECANONE, 97+% GC
[EINECS(EC#)]

207-324-3
[Molecular Formula]

C13H26O
[MDL Number]

MFCD00009543
[Molecular Weight]

198.34
[MOL File]

462-18-0.mol
Chemical PropertiesBack Directory
[Melting point ]

30-32.5 °C(lit.)
[Boiling point ]

264 °C(lit.)
[density ]

0.825 g/mL at 25 °C(lit.)
[refractive index ]

1.4357 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Light yellow
[Odor]

at 100.00?%. may blossom
[FreezingPoint ]

27.0 to 31.0 ℃
[LogP]

5.053 (est)
[CAS DataBase Reference]

462-18-0(CAS DataBase Reference)
[EPA Substance Registry System]

7-Tridecanone (462-18-0)
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

YD4577000
[HS Code ]

2914.19.0000
[Toxicity]

LDLo ivn-mus: 3511 mg/kg APTOA6 37,56,75
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

7-Tridecanone is an isomer of 2-Tridecanone which is a flavor component of many food products. 7-Tridecanone, however, is much less distributed. It is also used to study the toxicity of narcotic industrial chemicals.
[Preparation]

From Hexyl magnesium chloride and Heptyl nitrile (Hexyl cyanide).
[Synthesis Reference(s)]

Journal of the American Chemical Society, 97, p. 6900, 1975 DOI: 10.1021/ja00856a069
Tetrahedron Letters, 36, p. 3223, 1995 DOI: 10.1016/0040-4039(95)00519-I
[Safety Profile]

Moderately toxic by intravenousroute. A flammable liquid. When heated to decompositionit emits acrid smoke and irritating vapors.
[Purification Methods]

Crystallise the ketone from EtOH. [Beilstein 1 H 715.]
Spectrum DetailBack Directory
[Spectrum Detail]

7-TRIDECANONE(462-18-0)MS
7-TRIDECANONE(462-18-0)1HNMR
7-TRIDECANONE(462-18-0)13CNMR
7-TRIDECANONE(462-18-0)IR1
7-TRIDECANONE(462-18-0)IR2
7-TRIDECANONE(462-18-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

462-18-0(sigmaaldrich)
[TCI AMERICA]

7-Tridecanone,>97.0%(GC)(462-18-0)
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