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Long chain aldehyde
(total 108)
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(total 108)
| Id | Image | COMMON NAME | NAME | DATA No | Lipid class | INFORMANT | SYMBOL | FORMULA | MOL.WT(average) | Download cdx file / Mol format file | BIOOGICAL ACTIVITY | PHYSICAL AND CHEMICAL PROPERTIES | SPECTRAL DATA | CHROMATOGRAM DATA | SOURCE | CHEMICAL SYNTHESIS | METABOLISM | GENETIC INFORMATION | NOTE | REFERENCES | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MELTING POINT | BOILING POINT | DENSITY | REFRACTIVE INDEX | OPTICAL ROTATION | SOLUBILITY | UV SPECTRA | IR SPECTRA | NMR SPECTRA | MASS SPECTRA | OTHER SPECTRA | |||||||||||||||||||
| 1 |  | caproaldehyde/caproic aldehyde | hexanal | DLD0001 | Long chain aldehyde | Toshihide Suzuki | C6H12O | 100.159 | Download ChemDraw structure data | 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>> | Bp 131 / Bp12 28<< Ref. 0106>> | n 1.4039<< Ref. 0106>> | 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>> | Constit. of many foodstuffs. A prod. of aerobic enzymatic transformations of plant constits.<< Ref. 0106>> | Used in fruit flavours and in perfumery. Liq. with green, unripe-fruit odour. Autoxidises rapidly.<< Ref. 0106>> | << Ref.0001 >> AUTHOR: Opdyke,D.L.J. TITLE: Aldehyde C-6. PubMed ID:4716134 JOURNAL: Food Cosmet. Toxicol. VOLUME: 11 PAGE: 111 -111 (1973) << Ref.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. VOLUME: 91 PAGE: 6814 -6821 (1969) << Ref.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. VOLUME: 26 PAGE: 169 -172 (1977) << Ref.0106 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3508 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||
| 2 |  | 3-propylacrolein | 2-hexenal | DLD0002 | Long chain aldehyde | Toshihide Suzuki | C6H10O | 98.143 | Download ChemDraw structure data | E-form: Peroxidizable. Skin irritant. LD50(rat, orl) 850mg/kg<< Ref. 0003>> LD50(rat, orl) 780mg/kg<< Ref. 0108>> LD50(mus, orl) 685mg/kg<< Ref. 0017>> LD50(rbt, skn) 600mg/kg<< Ref. 0003>><< Ref. 0108>> | Z-form Bp6 42-44<< Ref. 0004>> E-form Bp 146-147/ Bp12 43<< Ref. 0108>> Z-form Bp20 46<< Ref. 0108>> | E-form d 0.8212<< Ref. 0004>> | E-form n 1.4480<< Ref. 0108>> E-form n 1.4342<< Ref. 0004>> | E-form u 2740(sh), 1730(vs), 1665(m), 975(m) cm-1<< Ref. 0004>> | E-form 1H NMR(CDCl3 ): d 5.44(t, d), 6.29(d), 9.78(s)<< Ref. 0004>> | Constit. of many foods, hornbeam leaves, and of scent gland of many bugs, e.g., Pternistria bispina alarm pheromone of e.g. Cimex lectularius.<< Ref. 0108>> | E-form: Used in perfumery and flavourings. Liq. with sharp herbal pungency, apple-like in high dilution.<< Ref. 0108>> Z-form: Fruit flavour/aroma constituent.<< Ref. 0108>> | << Ref.0003 >> AUTHOR: Opdyke, D. L. TITLE: Monographs on fragrance raw materials PubMed ID:1236824 JOURNAL: Food Cosmet Toxicol. VOLUME: 13 PAGE: 449-457(1975) << Ref.0004 >> AUTHOR: Nomura,M., Fujihara,Y., and Matsubara,Y. TITLE: Synthesis of trans-2- and trans-3-C6~C12 Alkenals JOURNAL: J. Jpn. Oil Chem. Soc. VOLUME: 29 PAGE: 755 -759 (1980) << Ref.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. VOLUME: 26 PAGE: 169 -172 (1977) << Ref.0108 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3522(1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||
| 3 |  | 3-hexenal | DLD0003 | Long chain aldehyde | Toshihide Suzuki | C6H10O | 98.143 | Download ChemDraw structure data | E-form: LD50(rat, oral) >5g/kg<< Ref. 0005>> LD50(rbt, skn) >5g/kg<< Ref. 0005>> Z-form: LD50(rat, orl) 1560mg/kg<< Ref. 0108>> | E-form Bp4 38-40<< Ref. 0004>> E-form Bp36 51.5-52.5/ Bp20 35<< Ref. 0108>> Z-form Bp730 120/ Bp20 36<< Ref. 0108>> | E-form d 0.8309<< Ref. 0004>> Z-form d224 0.853<< Ref. 0108>> | E-form n 1.4499<< Ref. 0004>> Z-form n 1.4300<< Ref. 0108>> | lmax 206.6nm<< Ref. 0006>> | E-form u 2740(sh), 1730(vs), 1660(m), 975(m) cm-1<< Ref. 0004>><< Ref. 0006>> | E-form 1H NMR(CDCl3): d 2.98(d), 5.46(t, d), 6.40(d), 9.74(s)<< Ref. 0004>> | Z-form: Constit. of cistus leaf oil. Also present in tea, tomatoes and cucumber.<< Ref. 0108>> | Z-form: Used in perfumery.<< Ref. 0108>> | << Ref.0004 >> AUTHOR: Nomura,M., Fujihara,Y., and Matsubara,Y. TITLE: Synthesis of trans-2- and trans-3-C6~C12 Alkenals JOURNAL: J. Jpn. Oil Chem. Soc. VOLUME: 29 PAGE: 755 -759 (1980) << Ref.0005 >> AUTHOR: Ford,R.A. TITLE: trans-3-Hexenal. PubMed ID:3391463 JOURNAL: Food Chem. Toxicol. VOLUME: 26 PAGE: 343 -343 (1988) << Ref.0006 >> AUTHOR: Winter,M., and Gautschi,F. TITLE: Odeur et Constitution. XX Syntheses des cis- et trans-Hexene-3-al JOURNAL: Helv. Chim. Acta VOLUME: 45 PAGE: 2567 -2575 (1962) << Ref.0108 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3522(1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||
| 4 |  | 4-hexenal | DLD0004 | Long chain aldehyde | Toshihide Suzuki | C6H10O | 98.143 | Download ChemDraw structure data | E-form Bp50 34/ Bp20 37<< Ref. 0108>> Z-form Bp20 38<< Ref. 0108>> | E-form u 3010, 2960, 2920, 2710, 1730, 1695, 1640, 1450, 1380, 1265, 965 cm-1<< Ref. 0007>> | E-form 1H NMR (CDCl3): d 1.56-1.65(3H), 2.0-2.7(4H), 5.2-5.6(2H), 9.6(s, 1H) << Ref. 0007>> | E-form m/z 98(M+), 69, 55, 42, 41, 29<< Ref. 0007>> | Oil.<< Ref. 0108>> | << Ref.0007 >> AUTHOR: Oppolzer,W., Siles,S., Snowden,R.L., Bakker,B.H., and Petrzilka,M. TITLE: Intramolecular N-Alkenylnitrone-Additions JOURNAL: Tetrahedron VOLUME: 41 PAGE: 3497 -3509 (1985) << Ref.0108 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3522(1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||||
| 5 |  | 5-hexenal | DLD0005 | Long chain aldehyde | Toshihide Suzuki | C6H10O | 98.143 | Download ChemDraw structure data | Bp 118-121<< Ref. 0108>> | Liquid.<< Ref. 0108>> | << Ref.0108 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3522(1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | ||||||||||||||||||
| 6 |  | sorbic aldehyde/sorbaldehyde | 2,4-hexadienal | DLD0006 | Long chain aldehyde | Toshihide Suzuki | C6H8O | 96.127 | Download ChemDraw structure data | E,E-form: Severe eye and skin irritant. LD50(rat, orl) 730mg/kg<< Ref. 0008>> LD50(rat, orl) 300mg/kg<< Ref. 0008>><< Ref. 0109>> LD50(rbt, skn) 270mg/kg<< Ref. 0008>><< Ref. 0109>> | E,E-form Mp -18<< Ref. 0010>> | 2Z,4E-form Bp760 180<< Ref. 0009>> Bp20 68-68.5<< Ref. 0011>> E,E-form Bp173-174/ Bp11 64-66<< Ref. 0109>> | d 0.89<< Ref. 0008>><< Ref. 0011>> | n 1.535<< Ref. 0008>> n 1.5367<< Ref. 0011>> | E,E,-form lmax(in ethanol) 271nm<< Ref. 0010>> lmax(in 95% ethanol) 271.5nm<< Ref. 0011>> | 2Z,4E-form u 3040, 2960, 1670, 1640, 1580 cm-1<< Ref. 0009>> E,E-form u 3035, 3026, 3010, 3004, 2982, 2968, 2938, 2914, 2882, 2850, 2820, 2808, 2734, 1680, 1639, 1603, 1590, 1448, 1435, 1394, 1378, 1303, 1292, 1230, 1214, 1166, 1120, 1085, 1035, 1014, 988, 926, 863, 777, 612, 504, 480, 375, 298, 285, 242, 200, 145, 126 cm-1<< Ref. 0010>> | 2Z,4E-form 1H NMR: d 1.92(d, 3H), 5.60-7.30(m, 4H), 10.17(d, 1H)<< Ref. 0009>> E,E-form 1H NMR (CDCl3, 200MHz): d 1.88(d, 3H), 6.04(dd, 1H), 6.42(m, 2H), 7.22(m, 1H), 9.54(d, 1H)<< Ref. 0048>> | 2Z,4E-form m/z 96(M+), 81, 67, 53<< Ref. 0009>> | Raman spectrum E,E-form 3035, 3026, 3004, 2982, 2968, 2938, 2914, 2882, 2850, 2820, 2807, 2734, 1680, 1639, 1603, 1590, 1448, 1435, 1394, 1378, 1303, 1292, 1230, 1214, 1166, 1120, 1085, 1035, 1014, 988, 926, 863, 777, 612, 375, 298, 242, 200, 126<< Ref. 0010>> | Polymerizes explosively on heating.<< Ref. 0109>> | << Ref.0008 >> AUTHOR: Ford,R.A. TITLE: trans, trans-2,4-Hexadienal. PubMed ID:3391463 JOURNAL: Food Chem. Toxicol. VOLUME: 26 PAGE: 337 -337 (1988) << Ref.0009 >> AUTHOR: Furber,M., Herbert,J.M., and Taylor,R.J.K. TITLE: Stereoselective Synthesis of 2Z, 4E-Dienals by Addition of Organometallic Reagents to Pyrylium Perchlorate JOURNAL: J. Chem. Soc. Perkin I VOLUME: PAGE: 683 -690 (1989) << Ref.0010 >> AUTHOR: Abo Aly,M.M., Baron,M.H., Favrot,J., Belloc,J., and Revault,M. TITLE: Vibrational Analysis of (E,E)-2,4-Hexadienal, (E,E,E)-2,4,6-Octatrienal, and (E,E,E)-3-Methyl-2,4,6-Octatrienal JOURNAL: Can. J. Chem. VOLUME: 63 PAGE: 1587 -1593 (1985) << Ref.0011 >> AUTHOR: Pippen,E.L., and Nonaka,M. TITLE: A Convenient Method for Synthesizing Normal Aliphatic 2,4-Dienals JOURNAL: J. Org. Chem. VOLUME: 23 PAGE: 1580 -1582 (1958) << Ref.0048 >> AUTHOR: Bellassoued,M., nad Majidi,A. TITLE: A Simple and Highly Stereoselective Route to E-a,b-Unsaturated Aldehydes JOURNAL: J. Org. Chem. VOLUME: 58 PAGE: 2517 -2522 (1993) << Ref.0109 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3452 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | ||||||||
| 7 |  | 4,5-hexadienal | DLD0007 | Long chain aldehyde | Toshihide Suzuki | C6H8O | 96.127 | Download ChemDraw structure data | Bp8 43<< Ref. 0109>> | u1950, 1716 cm-1<< Ref. 0012>> | 1H NMR(CDCl3 ) : d 2.10-2.70(m, 4H), 4.63(overlapping d of t, 2H), 5.10(overlapping d of t, 1H), 9.70(s, 1H)<< Ref. 0012>> | Liquid.<< Ref. 0109>> | << Ref.0012 >> AUTHOR: Coates,R.M., Senter,P.D., and Baker,W.R. TITLE: Annelative Ring Expansion via Intramolecular [2+2] Photocycloaddition of a,b-Unsaturated g-Lactones and Reductive Clevage: Synthesis of Hydrocyclopentacyclooctene-5-carboxylates JOURNAL: J. Org. Chem. VOLUME: 47 PAGE: 3597 -3607 (1982) << Ref.0109 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3452 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | ||||||||||||||||
| 8 |  | adipaldehyde/adipic dialdehyde | hexanedial | DLD0008 | Long chain aldehyde | Toshihide Suzuki | C6H10O2 | 114.142 | Download ChemDraw structure data | Bp2.5 65-66<< Ref. 0107>> | lmax 277nm<< Ref. 0013>> | u1725 cm-1<< Ref. 0013>> | 1H NMR: d 1.48-1.77(m, 4H), 2.26-2.63(m, 4H), 9.71(dt, 2H)<< Ref. 0013>> | m/e 96(M+-H20)<< Ref. 0013>> | Polymerises on long standing.<< Ref. 0107>> | << Ref.0013 >> AUTHOR: Cambie,R.C., Chambers,D., Rutledge,P.S., and Woodgate,P.D. TITLE: Cleavage of Vicinal Diols by Iodine Triacetate and Iodine (I) Acetate JOURNAL: J. Chem. Soc. Perkin I VOLUME: PAGE: 1483 -1485 (1978) << Ref.0107 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3509 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||
| 9 |  | 2-hexenedial | DLD0009 | Long chain aldehyde | Toshihide Suzuki | C6H8O2 | 112.127 | Download ChemDraw structure data | Z-form Bp0.35 60<< Ref. 0014>><< Ref. 0110>> | u (CHCl3) 1740, 1700 cm-1<< Ref. 0014>> | 1H NMR(CDCl3): d 2.70(m, 4H), 6.15(ddt, 1H), 6.87(dt, 1H), 9.57(d, 1H), 9.83(s, 1H)<< Ref. 0014>> | m/e 113(M++1), 95, 85<< Ref. 0014>> | << Ref. 0110>> | << Ref.0014 >> AUTHOR: Hudlicky,T., Luna,H., Barbieri,G., and Kwart,L.D. TITLE: Enantioselective Synthesis through Microbial Oxidation of Arenes. 1. Efficient Preparation of Terpen and Prostanoid Synthons JOURNAL: J. Am. Chem. Soc. VOLUME: 110 PAGE: 4735 -4741 (1988) << Ref.0110 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3523 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||||
| 10 |  | 3-hexenedial | DLD0010 | Long chain aldehyde | Toshihide Suzuki | C6H8O2 | 112.127 | Download ChemDraw structure data | << Ref. 0110>> | << Ref.0110 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3523 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||||||||
| 11 |  | muconic dialdehyde | 2,4-hexadienedial | DLD0011 | Long chain aldehyde | Toshihide Suzuki | C6H6O2 | 110.111 | Download ChemDraw structure data | E,E-form Mp 120.5-121<< Ref. 0111>> E,Z-form Mp 58.5-59.0<< Ref. 0111>> Z,Z-form Mp 99<< Ref. 0111>> | lmax 272nm<< Ref. 0016>> | u 1730, 1680 cm-1<< Ref. 0016>> | 1H NMR(CDCl3 ): d 6.5(m), 7.3(m), 8.1(m), 9.75(d), 9.77(d), 10.25(d)<< Ref. 0016>> | E,E-form: Pale-yellow needles.<< Ref. 0111>> E,Z-form: Yellow leaflets.<< Ref. 0111>> Z,Z-from: Yellow needles.<< Ref. 0111>> | << Ref.0016 >> AUTHOR: Davies,S.G., and Whitham,G.H. TITLE: Benzen Oxide-Oxepin. Oxidation to Muconaldehyde JOURNAL: J. Chem. Soc. Perkin I VOLUME: PAGE: 1346 -1347 (1977) << Ref.0111 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3453 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | ||||||||||||||
| 12 |  | 2-hydroxycaproaldehyde | 2-hydroxyhexanal | DLD0012 | Long chain aldehyde | Toshihide Suzuki | C6H12O2 | 116.158 | Download ChemDraw structure data | LD50 (mus, orl) 598.2mg/kg<< Ref. 0017>> | << Ref. 0017>> | m/e 116(M+), 98, 87, 73, 60, 55, 45<< Ref. 0017>> | << Ref.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. VOLUME: 26 PAGE: 169 -172 (1977) | ||||||||||||||||
| 13 |  | 4-hydroxycaproaldehyde | 4-hydroxyhexanal | DLD0013 | Long chain aldehyde | Toshihide Suzuki | C6H12O2 | 116.158 | Download ChemDraw structure data | Bp11 77-80<< Ref. 0112>> | d184 1.004<< Ref. 0112>> | n 1.4368<< Ref. 0112>> | << Ref. 0112>> | << Ref.0112 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3654 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||||
| 14 |  | 5-hydroxycaproaldehyde | 5-hydroxyhexanal | DLD0014 | Long chain aldehyde | Toshihide Suzuki | C6H12O2 | 116.158 | Download ChemDraw structure data | Bp11 71-78<< Ref. 0112>> | d184 1.007<< Ref. 0112>> | n 1.4452<< Ref. 0112>> | << Ref. 0112>> | << Ref.0112 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3654 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | |||||||||||||||
| 15 |  | 6-hydroxycaproaldehyde | 6-hydroxyhexanal | DLD0015 | Long chain aldehyde | Toshihide Suzuki | C6H12O2 | 116.158 | Download ChemDraw structure data | Bp18 82<< Ref. 0112>> | n 1.4205<< Ref. 0112>> | << Ref. 0112>> | << Ref.0112 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3654 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - () | ||||||||||||||||
| 16 |  | 4-hydroxy-2-hexenal | DLD0016 | Long chain aldehyde | Toshihide Suzuki | C6H10O2 | 114.142 | Download ChemDraw structure data | LD50 (mus, ipr) 110mg/kg<< Ref. 0113>> | E-form Bp0.01-0.03 48-51<< Ref. 0113>> | 1H NMR<< Ref. 0018>> | ||||||||||||||||||