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Long chain aldehyde

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IdImageCOMMON NAMENAMEDATA No Lipid classINFORMANTSYMBOLFORMULAMOL.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 POINTBOILING POINTDENSITYREFRACTIVE INDEXOPTICAL ROTATIONSOLUBILITY UV SPECTRAIR SPECTRANMR SPECTRAMASS SPECTRAOTHER SPECTRA
1caproaldehyde/caproic aldehyde hexanal DLD0001Long chain aldehydeToshihide Suzuki C6H12O 100.159Download ChemDraw structure dataSkin 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 131deg/ Bp12 28deg<< Ref. 0106>> nd-20 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: - ()
23-propylacrolein 2-hexenal DLD0002Long chain aldehydeToshihide Suzuki C6H10O 98.143Download ChemDraw structure dataE-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 42-44deg<< Ref. 0004>> E-form Bp 146-147deg/ Bp12 43deg<< Ref. 0108>> Z-form Bp20 46deg<< Ref. 0108>> E-form d4-25 0.8212<< Ref. 0004>> E-form nd-20 1.4480<< Ref. 0108>> E-form nd-25 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 DLD0003Long chain aldehydeToshihide Suzuki C6H10O 98.143Download ChemDraw structure dataE-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 38-40deg<< Ref. 0004>> E-form Bp36 51.5-52.5deg/ Bp20 35deg<< Ref. 0108>> Z-form Bp730 120deg/ Bp20 36deg<< Ref. 0108>> E-form d4-25 0.8309<< Ref. 0004>> Z-form d224 0.853<< Ref. 0108>> E-form nd-25 1.4499<< Ref. 0004>> Z-form nd-22 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 DLD0004Long chain aldehydeToshihide Suzuki C6H10O 98.143Download ChemDraw structure data E-form Bp50 34deg/ Bp20 37deg<< Ref. 0108>> Z-form Bp20 38deg<< 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 DLD0005Long chain aldehydeToshihide Suzuki C6H10O 98.143Download ChemDraw structure data Bp 118-121deg<< Ref. 0108>> Liquid.<< Ref. 0108>> << Ref.0108 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3522(1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - ()
6sorbic aldehyde/sorbaldehyde 2,4-hexadienal DLD0006Long chain aldehydeToshihide Suzuki C6H8O 96.127Download ChemDraw structure dataE,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 -18deg<< Ref. 0010>> 2Z,4E-form Bp760 180deg<< Ref. 0009>> Bp20 68-68.5deg<< Ref. 0011>> E,E-form Bp173-174deg/ Bp11 64-66deg<< Ref. 0109>> d 0.89<< Ref. 0008>><< Ref. 0011>> n 1.535<< Ref. 0008>> nd-27 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 DLD0007Long chain aldehydeToshihide Suzuki C6H8O 96.127Download ChemDraw structure data Bp8 43deg<< 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: - ()
8adipaldehyde/adipic dialdehyde hexanedial DLD0008Long chain aldehydeToshihide Suzuki C6H10O2 114.142Download ChemDraw structure data Bp2.5 65-66deg<< 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 DLD0009Long chain aldehydeToshihide Suzuki C6H8O2 112.127Download ChemDraw structure data Z-form Bp0.35 60deg<< 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 DLD0010Long chain aldehydeToshihide Suzuki C6H8O2 112.127Download ChemDraw structure data << Ref. 0110>> << Ref.0110 >> AUTHOR: Dictionary of Organic Compounds Sixth Edition, pp3523 (1996), Champan and Hall, London TITLE: JOURNAL: VOLUME: PAGE: - ()
11muconic dialdehyde 2,4-hexadienedial DLD0011Long chain aldehydeToshihide Suzuki C6H6O2 110.111Download ChemDraw structure data E,E-form Mp 120.5-121deg<< Ref. 0111>> E,Z-form Mp 58.5-59.0deg<< Ref. 0111>> Z,Z-form Mp 99deg<< 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: - ()
122-hydroxycaproaldehyde 2-hydroxyhexanal DLD0012Long chain aldehydeToshihide Suzuki C6H12O2 116.158Download ChemDraw structure dataLD50 (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)
134-hydroxycaproaldehyde 4-hydroxyhexanal DLD0013Long chain aldehydeToshihide Suzuki C6H12O2 116.158Download ChemDraw structure data Bp11 77-80deg<< Ref. 0112>> d184 1.004<< Ref. 0112>> nd-18 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: - ()
145-hydroxycaproaldehyde 5-hydroxyhexanal DLD0014Long chain aldehydeToshihide Suzuki C6H12O2 116.158Download ChemDraw structure data Bp11 71-78deg<< Ref. 0112>> d184 1.007<< Ref. 0112>> nd-18 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: - ()
156-hydroxycaproaldehyde 6-hydroxyhexanal DLD0015Long chain aldehydeToshihide Suzuki C6H12O2 116.158Download ChemDraw structure data Bp18 82deg<< Ref. 0112>> nd-22 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 DLD0016Long chain aldehydeToshihide Suzuki C6H10O2 114.142Download ChemDraw structure dataLD50 (mus, ipr) 110mg/kg<< Ref. 0113>> E-form Bp0.01-0.03 48-51deg<< Ref. 0113>> 1H NMR<< Ref. 0018>>