Tetrahydro-pseudo-ionone

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  • Identifiers

    CAS number
    1322-58-3

    Molecular formula
    C13H24O

    SMILES
    CC(CCCC(=O)C)CCC=C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 90.9%
    Sweet 69.53%
    Rose 67.04%
    Fruity 66.31%
    Waxy 61.96%
    Woody 61.92%
    Fresh 52.05%
    Citrus 50.23%
    Powdery 40.88%
    Green 39.36%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 234.00 °C. @ 760.00 mm Hg

    Flash point est.
    97.24 ˚C

    Solubility expt.

    • insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 6,10-Dimethylundec-9-en-2-one
    • Citronellylacetone
    • 3,4,5,6-Tetrahydropseudoionone
    • Tetrahydro-pseudo-ionone
    • Dihydrogeranylacetone
    • 9-Undecen-2-one, 6,10-dimethyl-
    • 6,10-Dimethyl-9-undecen-2-one
    • 1322-58-3
    • 4433-36-7
    • FEMA No. 3059
    • citronellyl acetone
    • 6,10-Dimethylundecen-2-one
    • BRN 1765213
    • EINECS 224-634-4
    • TETRAMERAN
    • 3DAE8640XJ
    • DTXSID70110009
    • 4-01-00-03529 (Beilstein Handbook Reference)
    • TETRAHYDRO-PSEUDO-IONONE [FHFI]
    • (+/-)-TETRAHYDRO-PSEUDO-IONONE
    • TETRAHYDRO-PSEUDO-IONONE, (+/-)-
    • UNII-3DAE8640XJ
    • Tetrahydropseudoionone
    • SCHEMBL1472117
    • 6,10-Dimethyl-Undecen-2-one
    • DTXCID1065263
    • FEMA 3059
    • DTXSID50280077
    • CHEBI:185517
    • 6,10-dimethylundeca-9-en-2-one
    • 6,10-dimethyl-undeca-9-en-2-one
    • 6,10-Dimethyl-9-undecen-2-one #
    • AKOS006272813
    • NS00012236
    • EN300-1832800
    • Q27257070
    • 215-340-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5086.45
    methanol 3673.38
    isopropanol 4309.44
    water 0.41
    ethyl acetate 3100.79
    n-propanol 3405.19
    acetone 3141.35
    n-butanol 3556.57
    acetonitrile 2012.33
    DMF 1281.57
    toluene 1204.84
    isobutanol 2362.11
    1,4-dioxane 5212.06
    methyl acetate 1817.7
    THF 5459.1
    2-butanone 2463.68
    n-pentanol 2384.82
    sec-butanol 3128.35
    n-hexane 1477.31
    ethylene glycol 223.13
    NMP 979.2
    cyclohexane 1446.53
    DMSO 1330.7
    n-butyl acetate 2403.78
    n-octanol 1143.17
    chloroform 4262.5
    n-propyl acetate 1732.01
    acetic acid 1391.67
    dichloromethane 3036.21
    cyclohexanone 2776.72
    propylene glycol 696.08
    isopropyl acetate 1997.45
    DMAc 1128.82
    2-ethoxyethanol 2127.73
    isopentanol 2932.3
    n-heptane 799.87
    ethyl formate 1094.69
    1,2-dichloroethane 1843.65
    n-hexanol 3237.83
    2-methoxyethanol 2904.14
    isobutyl acetate 1081.76
    tetrachloromethane 749.46
    n-pentyl acetate 1222.36
    transcutol 6844.67
    n-heptanol 1145.04
    ethylbenzene 706.32
    MIBK 1441.12
    2-propoxyethanol 3139.2
    tert-butanol 4313.55
    MTBE 4123.01
    2-butoxyethanol 1598.19
    propionic acid 1148.31
    o-xylene 627.67
    formic acid 247.97
    diethyl ether 4777.37
    m-xylene 805.92
    p-xylene 815.31
    chlorobenzene 1009.89
    dimethyl carbonate 243.38
    n-octane 209.88
    formamide 345.23
    cyclopentanone 2008.05
    2-pentanone 2502.24
    anisole 1087.3
    cyclopentyl methyl ether 2709.21
    gamma-butyrolactone 1653.45
    1-methoxy-2-propanol 2389.24
    pyridine 2320.61
    3-pentanone 1364.17
    furfural 1297.26
    n-dodecane 108.25
    diethylene glycol 1173.33
    diisopropyl ether 1350.63
    tert-amyl alcohol 3147.55
    acetylacetone 1603.4
    n-hexadecane 125.58
    acetophenone 746.41
    methyl propionate 1261.77
    isopentyl acetate 2102.35
    trichloroethylene 2676.4
    n-nonanol 950.39
    cyclohexanol 2644.58
    benzyl alcohol 845.05
    2-ethylhexanol 1794.27
    isooctanol 892.0
    dipropyl ether 2718.25
    1,2-dichlorobenzene 744.73
    ethyl lactate 483.74
    propylene carbonate 1049.19
    n-methylformamide 701.54
    2-pentanol 2552.96
    n-pentane 931.67
    1-propoxy-2-propanol 2570.02
    1-methoxy-2-propyl acetate 1816.86
    2-(2-methoxypropoxy) propanol 1135.98
    mesitylene 502.47
    ε-caprolactone 2362.63
    p-cymene 489.44
    epichlorohydrin 2514.69
    1,1,1-trichloroethane 2239.35
    2-aminoethanol 922.13
    morpholine-4-carbaldehyde 1861.93
    sulfolane 1261.53
    2,2,4-trimethylpentane 298.54
    2-methyltetrahydrofuran 4984.04
    n-hexyl acetate 1922.87
    isooctane 265.05
    2-(2-butoxyethoxy)ethanol 1963.08
    sec-butyl acetate 1302.4
    tert-butyl acetate 1827.41
    decalin 456.83
    glycerin 568.34
    diglyme 3092.22
    acrylic acid 592.27
    isopropyl myristate 579.78
    n-butyric acid 2569.21
    acetyl acetate 1135.71
    di(2-ethylhexyl) phthalate 436.58
    ethyl propionate 1267.59
    nitromethane 1384.94
    1,2-diethoxyethane 3029.56
    benzonitrile 1121.79
    trioctyl phosphate 333.41
    1-bromopropane 2274.33
    gamma-valerolactone 2693.12
    n-decanol 619.53
    triethyl phosphate 438.75
    4-methyl-2-pentanol 1258.37
    propionitrile 1683.05
    vinylene carbonate 843.51
    1,1,2-trichlorotrifluoroethane 1324.22
    DMS 698.84
    cumene 469.11
    2-octanol 781.64
    2-hexanone 1878.88
    octyl acetate 699.17
    limonene 991.73
    1,2-dimethoxyethane 3369.17
    ethyl orthosilicate 514.76
    tributyl phosphate 458.23
    diacetone alcohol 1558.2
    N,N-dimethylaniline 662.54
    acrylonitrile 1158.71
    aniline 1342.62
    1,3-propanediol 1565.12
    bromobenzene 1069.05
    dibromomethane 2444.21
    1,1,2,2-tetrachloroethane 2547.27
    2-methyl-cyclohexyl acetate 1027.81
    tetrabutyl urea 514.62
    diisobutyl methanol 869.02
    2-phenylethanol 1074.91
    styrene 831.31
    dioctyl adipate 729.75
    dimethyl sulfate 264.09
    ethyl butyrate 1617.31
    methyl lactate 433.89
    butyl lactate 776.08
    diethyl carbonate 799.39
    propanediol butyl ether 1295.45
    triethyl orthoformate 1049.96
    p-tert-butyltoluene 496.3
    methyl 4-tert-butylbenzoate 711.09
    morpholine 6317.13
    tert-butylamine 3284.89
    n-dodecanol 441.11
    dimethoxymethane 1391.01
    ethylene carbonate 889.54
    cyrene 666.32
    2-ethoxyethyl acetate 1397.45
    2-ethylhexyl acetate 1605.73
    1,2,4-trichlorobenzene 883.27
    4-methylpyridine 2407.67
    dibutyl ether 2085.98
    2,6-dimethyl-4-heptanol 869.02
    DEF 1719.92
    dimethyl isosorbide 1489.99
    tetrachloroethylene 1517.67
    eugenol 659.85
    triacetin 1090.83
    span 80 1164.37
    1,4-butanediol 533.3
    1,1-dichloroethane 2628.8
    2-methyl-1-pentanol 1787.17
    methyl formate 401.75
    2-methyl-1-butanol 2304.67
    n-decane 249.55
    butyronitrile 2572.49
    3,7-dimethyl-1-octanol 1107.72
    1-chlorooctane 760.04
    1-chlorotetradecane 239.34
    n-nonane 280.28
    undecane 155.45
    tert-butylcyclohexane 442.57
    cyclooctane 441.65
    cyclopentanol 1910.77
    tetrahydropyran 6614.29
    tert-amyl methyl ether 2374.39
    2,5,8-trioxanonane 1742.3
    1-hexene 2973.45
    2-isopropoxyethanol 1512.59
    2,2,2-trifluoroethanol 227.33
    methyl butyrate 1645.38

    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