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Long chain aldehyde


DATA No : DLD0001 INFORMANT : Toshihide Suzuki

NAME : hexanal

COMMON NAME: caproaldehyde/caproic aldehyde
SYMBOL:
FORMULA: C6H12O MOL.WT (average) : 100.159


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BIOLOGICAL ACTIVITY
Skin and eye irritant. LD50(rat, orl) 4.9g-5.0g/kg(Ref. 0001) LD50(rat, orl) 4890mg/kg(Ref. 0106) LD50(mus, orl) 8292mg/kg(Ref. 0017) LD50(rbt, skn)>10ml/kg(Ref. 0001)
PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:

BOILING POINT:Bp 131deg/ Bp12 28deg(Ref. 0106)

REFRACTIVE INDEX:nd-20 1.4039(Ref. 0106)

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:

NMR SPECTRA:

MASS SPECTRA:m/e(12eV) 100(M+), 82, 72, 71, 58, 57, 56, 45, 44(Ref. 0002) m/e(70eV) 100(M+), 82, 72, 71, 58, 57, 56, 55, 45, 44, 43, 42, 29(Ref. 0002)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE
Constit. of many foodstuffs. A prod. of aerobic enzymatic transformations of plant constits.(Ref. 0106)
CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE
Used in fruit flavours and in perfumery. Liq. with green, unripe-fruit odour. Autoxidises rapidly.(Ref. 0106)
REFERENCES
[0001]
AUTHOR:Opdyke,D.L.J.
TITLE:Aldehyde C-6. PubMed ID:4716134
JOURNAL:Food Cosmet. Toxicol.
VOL:11 PAGE : 111 -111 (1973)
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[0002]
AUTHOR:Liedtke,R.J., and Djerassi, C.
TITLE:Mass Spectrometry in Structural and Stereochemical Problems. CLXXXIII. A Study of the Electron Impact Induced Fragmentation of Aliphatic Aldehydes
JOURNAL:J. Am. Chem. Soc.
VOL:91 PAGE : 6814 -6821 (1969)
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[0017]
AUTHOR:Tovar,L.R., and Kaneda,T.
TITLE:Studies on the Toxicity of the Autoxidized Oils. VI. Comparative Toxicity of Secondary Oxidation Products in Autoxidized Methyl Linoleate
JOURNAL:J. Jpn. Oil Chem. Soc.
VOL:26 PAGE : 169 -172 (1977)
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[0106]
AUTHOR:Dictionary of Organic Compounds Sixth Edition, pp3508 (1996), Champan and Hall, London
TITLE:
JOURNAL:
VOL: PAGE : - ()
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.