Houttuynin

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  • Identifiers

    CAS number
    56505-80-7

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCCCCC(=O)CC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 76.48%
    Waxy 61.08%
    Citrus 50.65%
    Fruity 49.5%
    Aldehydic 45.18%
    Green 44.38%
    Dairy 41.38%
    Milky 37.28%
    Oily 36.33%
    Creamy 35.21%

     

    Flavor
    Waxy 56.0%
    Fatty 52.38%
    Fruity 46.16%
    Oily 38.75%
    Green 37.56%
    Fat 36.4%
    Herbal 35.5%
    Fresh 35.29%
    Mushroom 33.74%
    Creamy 33.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.48 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 123.95 ˚C est.

  • Synonyms

    • Decanoyl acetaldehyde
    • 56505-80-7
    • Houttuynin
    • NKP6GP1IRH
    • DTXSID20205050
    • RefChem:131222
    • DTXCID20127541
    • 3-Oxododecanal
    • Houttuynine
    • Dodecanal, 3-oxo-
    • BRN 1771322
    • starbld0047715
    • UNII-NKP6GP1IRH
    • 4-01-00-03730 (Beilstein Handbook Reference)
    • SCHEMBL379850
    • CHEMBL443876
    • SCHEMBL1144900
    • CHEBI:80815
    • GCA50580
    • DB-294466
    • C16947
    • Q27149858
    • 56505-80-7

  • Applications

    Houttuynin (CAS 56505-80-7) is a natural product with potential uses as an organic synthesis intermediate and as a research material for pharmaceutical chemistry; its reported antimicrobial and antifungal activity makes it of interest for the development of antimicrobial formulations and it may be used as an active ingredient in botanically derived cosmetics/personal care products; it is also evaluated as a biocontrol agent in agriculture to suppress plant diseases and may be considered for cleaning formulations that rely on antimicrobial action; in industrial contexts, it can serve as an intermediate or building block in the synthesis of cyclic structures, and in pharmaceutical R&D it may function as a lead compound or precursor under study, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1382.75
    methanol 1565.54
    isopropanol 1201.51
    water 0.03
    ethyl acetate 1580.44
    n-propanol 1067.27
    acetone 3152.58
    n-butanol 951.72
    acetonitrile 1203.24
    DMF 1837.66
    toluene 419.99
    isobutanol 773.26
    1,4-dioxane 1502.58
    methyl acetate 1039.33
    THF 3270.62
    2-butanone 1879.03
    n-pentanol 680.67
    sec-butanol 814.3
    n-hexane 230.0
    ethylene glycol 105.31
    NMP 1457.89
    cyclohexane 318.93
    DMSO 3253.74
    n-butyl acetate 1238.86
    n-octanol 211.37
    chloroform 2290.33
    n-propyl acetate 1136.16
    acetic acid 785.05
    dichloromethane 2385.51
    cyclohexanone 2818.51
    propylene glycol 249.77
    isopropyl acetate 978.95
    DMAc 1108.0
    2-ethoxyethanol 810.1
    isopentanol 937.8
    n-heptane 90.1
    ethyl formate 697.72
    1,2-dichloroethane 1966.8
    n-hexanol 698.81
    2-methoxyethanol 1455.86
    isobutyl acetate 657.29
    tetrachloromethane 346.54
    n-pentyl acetate 579.69
    transcutol 3163.65
    n-heptanol 212.56
    ethylbenzene 263.12
    MIBK 924.6
    2-propoxyethanol 1040.05
    tert-butanol 1419.36
    MTBE 1210.29
    2-butoxyethanol 491.89
    propionic acid 750.85
    o-xylene 271.36
    formic acid 147.1
    diethyl ether 1498.92
    m-xylene 316.33
    p-xylene 341.22
    chlorobenzene 673.0
    dimethyl carbonate 217.96
    n-octane 28.28
    formamide 272.97
    cyclopentanone 2723.07
    2-pentanone 1706.16
    anisole 527.79
    cyclopentyl methyl ether 1533.14
    gamma-butyrolactone 2294.49
    1-methoxy-2-propanol 1236.71
    pyridine 1522.51
    3-pentanone 954.98
    furfural 1405.64
    n-dodecane 17.22
    diethylene glycol 553.94
    diisopropyl ether 344.75
    tert-amyl alcohol 871.76
    acetylacetone 1525.47
    n-hexadecane 21.37
    acetophenone 513.5
    methyl propionate 941.55
    isopentyl acetate 991.49
    trichloroethylene 2767.95
    n-nonanol 185.53
    cyclohexanol 1051.77
    benzyl alcohol 432.92
    2-ethylhexanol 443.4
    isooctanol 197.98
    dipropyl ether 748.65
    1,2-dichlorobenzene 619.32
    ethyl lactate 321.41
    propylene carbonate 1048.54
    n-methylformamide 798.68
    2-pentanol 684.46
    n-pentane 110.97
    1-propoxy-2-propanol 911.36
    1-methoxy-2-propyl acetate 900.05
    2-(2-methoxypropoxy) propanol 490.56
    mesitylene 216.3
    ε-caprolactone 1665.96
    p-cymene 160.32
    epichlorohydrin 2379.52
    1,1,1-trichloroethane 1660.72
    2-aminoethanol 335.85
    morpholine-4-carbaldehyde 1268.19
    sulfolane 2546.53
    2,2,4-trimethylpentane 48.64
    2-methyltetrahydrofuran 2304.51
    n-hexyl acetate 697.7
    isooctane 44.17
    2-(2-butoxyethoxy)ethanol 684.89
    sec-butyl acetate 683.52
    tert-butyl acetate 1028.74
    decalin 111.53
    glycerin 293.34
    diglyme 1408.95
    acrylic acid 480.93
    isopropyl myristate 239.94
    n-butyric acid 1464.62
    acetyl acetate 696.68
    di(2-ethylhexyl) phthalate 192.85
    ethyl propionate 844.82
    nitromethane 1590.78
    1,2-diethoxyethane 1137.71
    benzonitrile 679.01
    trioctyl phosphate 145.43
    1-bromopropane 1276.83
    gamma-valerolactone 2613.44
    n-decanol 129.91
    triethyl phosphate 266.99
    4-methyl-2-pentanol 373.05
    propionitrile 975.64
    vinylene carbonate 790.96
    1,1,2-trichlorotrifluoroethane 1236.65
    DMS 460.44
    cumene 171.74
    2-octanol 158.77
    2-hexanone 1205.98
    octyl acetate 273.69
    limonene 312.8
    1,2-dimethoxyethane 1752.82
    ethyl orthosilicate 257.62
    tributyl phosphate 220.03
    diacetone alcohol 966.98
    N,N-dimethylaniline 307.86
    acrylonitrile 1018.75
    aniline 566.3
    1,3-propanediol 618.75
    bromobenzene 751.94
    dibromomethane 1719.74
    1,1,2,2-tetrachloroethane 2291.34
    2-methyl-cyclohexyl acetate 499.29
    tetrabutyl urea 276.26
    diisobutyl methanol 248.91
    2-phenylethanol 425.96
    styrene 370.3
    dioctyl adipate 378.21
    dimethyl sulfate 419.09
    ethyl butyrate 767.36
    methyl lactate 340.63
    butyl lactate 433.41
    diethyl carbonate 419.0
    propanediol butyl ether 434.97
    triethyl orthoformate 458.81
    p-tert-butyltoluene 155.88
    methyl 4-tert-butylbenzoate 387.65
    morpholine 2287.43
    tert-butylamine 815.67
    n-dodecanol 94.98
    dimethoxymethane 970.15
    ethylene carbonate 752.83
    cyrene 405.52
    2-ethoxyethyl acetate 712.12
    2-ethylhexyl acetate 709.33
    1,2,4-trichlorobenzene 696.88
    4-methylpyridine 1386.35
    dibutyl ether 590.74
    2,6-dimethyl-4-heptanol 248.91
    DEF 1389.8
    dimethyl isosorbide 846.98
    tetrachloroethylene 1394.56
    eugenol 358.57
    triacetin 593.89
    span 80 443.72
    1,4-butanediol 217.11
    1,1-dichloroethane 1999.25
    2-methyl-1-pentanol 552.6
    methyl formate 485.35
    2-methyl-1-butanol 704.7
    n-decane 37.12
    butyronitrile 1158.36
    3,7-dimethyl-1-octanol 285.63
    1-chlorooctane 206.92
    1-chlorotetradecane 65.43
    n-nonane 39.64
    undecane 23.77
    tert-butylcyclohexane 93.55
    cyclooctane 69.04
    cyclopentanol 1133.7
    tetrahydropyran 2625.34
    tert-amyl methyl ether 750.56
    2,5,8-trioxanonane 830.96
    1-hexene 821.64
    2-isopropoxyethanol 637.22
    2,2,2-trifluoroethanol 200.65
    methyl butyrate 1248.25

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction