Liatris lactone

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  • Identifiers

    CAS number
    34175-79-6

    Molecular formula
    C22H26O8

    SMILES
    C/C=C(/COC(=O)C)\C(=O)O[C@@H]1C[C@]2(C=C[C@@](O2)(/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.38%
    Sweet 32.42%
    Mint 27.0%
    Spicy 23.47%
    Herbal 22.84%
    Caramellic 22.46%
    Nutty 21.04%
    Woody 20.82%
    Celery 20.01%
    Roasted 19.54%

     

    Flavor
    Bitter 81.97%
    Odorless 23.18%
    Very mild 20.51%
    Bland 19.94%
    Cedarleaf 19.47%
    Sweet-like 19.44%
    Parsley 19.27%
    Cotton candy 19.24%
    Seedy 19.14%
    Ripe apricot 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    3.67 (weak acid)

    Molecular weight
    418.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    622°C

    Flash point

    • 225.09 ˚C est.

  • Synonyms

    • Liatris lactone
    • 34175-79-6
    • NSC135034
    • NSC-135034
    • [(1R,2Z,4R,8R,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate
    • 34175-79-6

  • Applications

    Liatris lactone (CAS 34175-79-6) is typically used as an aroma compound in perfumery, contributing floral and green notes to fragrances; it may function as an odorant and, in some formulations, as a fixative to help extend fragrance longevity. In cosmetics and personal care, it is evaluated as a fragrance ingredient; in household products, it may serve as a scent additive in air fresheners and cleaners. It can be evaluated as an intermediate in fragrance synthesis for industrial manufacturing. It may also be considered for use in flavor formulations in food processing, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 207.0
    methanol 434.2
    isopropanol 79.11
    water 0.32
    ethyl acetate 337.84
    n-propanol 166.25
    acetone 744.14
    n-butanol 105.05
    acetonitrile 242.1
    DMF 1670.47
    toluene 43.14
    isobutanol 75.57
    1,4-dioxane 540.1
    methyl acetate 340.98
    THF 1043.98
    2-butanone 378.47
    n-pentanol 77.42
    sec-butanol 71.73
    n-hexane 0.95
    ethylene glycol 45.96
    NMP 1376.97
    cyclohexane 1.35
    DMSO 1243.87
    n-butyl acetate 80.36
    n-octanol 21.88
    chloroform 750.76
    n-propyl acetate 170.63
    acetic acid 982.88
    dichloromethane 673.58
    cyclohexanone 470.17
    propylene glycol 75.55
    isopropyl acetate 137.42
    DMAc 1395.55
    2-ethoxyethanol 364.3
    isopentanol 61.67
    n-heptane 0.49
    ethyl formate 250.16
    1,2-dichloroethane 318.89
    n-hexanol 28.33
    2-methoxyethanol 666.28
    isobutyl acetate 74.44
    tetrachloromethane 28.37
    n-pentyl acetate 61.52
    transcutol 380.33
    n-heptanol 21.26
    ethylbenzene 21.48
    MIBK 101.48
    2-propoxyethanol 293.62
    tert-butanol 54.41
    MTBE 37.08
    2-butoxyethanol 121.77
    propionic acid 295.29
    o-xylene 24.69
    formic acid 524.1
    diethyl ether 93.41
    m-xylene 22.18
    p-xylene 29.43
    chlorobenzene 103.11
    dimethyl carbonate 374.4
    n-octane 0.37
    formamide 818.38
    cyclopentanone 913.01
    2-pentanone 286.44
    anisole 138.02
    cyclopentyl methyl ether 172.73
    gamma-butyrolactone 1275.76
    1-methoxy-2-propanol 423.25
    pyridine 430.82
    3-pentanone 199.86
    furfural 783.5
    n-dodecane 0.55
    diethylene glycol 250.14
    diisopropyl ether 9.58
    tert-amyl alcohol 52.38
    acetylacetone 469.0
    n-hexadecane 0.67
    acetophenone 194.89
    methyl propionate 397.42
    isopentyl acetate 65.95
    trichloroethylene 962.43
    n-nonanol 24.15
    cyclohexanol 70.6
    benzyl alcohol 152.82
    2-ethylhexanol 16.3
    isooctanol 18.21
    dipropyl ether 28.5
    1,2-dichlorobenzene 103.82
    ethyl lactate 118.73
    propylene carbonate 459.35
    n-methylformamide 893.35
    2-pentanol 38.07
    n-pentane 0.81
    1-propoxy-2-propanol 128.89
    1-methoxy-2-propyl acetate 169.34
    2-(2-methoxypropoxy) propanol 131.96
    mesitylene 10.1
    ε-caprolactone 466.29
    p-cymene 8.35
    epichlorohydrin 1214.98
    1,1,1-trichloroethane 185.66
    2-aminoethanol 121.91
    morpholine-4-carbaldehyde 1140.85
    sulfolane 1193.66
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 306.64
    n-hexyl acetate 85.37
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 156.37
    sec-butyl acetate 81.76
    tert-butyl acetate 96.7
    decalin 1.39
    glycerin 163.95
    diglyme 329.45
    acrylic acid 353.51
    isopropyl myristate 28.7
    n-butyric acid 345.81
    acetyl acetate 250.11
    di(2-ethylhexyl) phthalate 48.98
    ethyl propionate 182.6
    nitromethane 2006.72
    1,2-diethoxyethane 92.94
    benzonitrile 139.77
    trioctyl phosphate 29.12
    1-bromopropane 91.21
    gamma-valerolactone 1506.06
    n-decanol 16.55
    triethyl phosphate 49.51
    4-methyl-2-pentanol 19.82
    propionitrile 159.73
    vinylene carbonate 499.28
    1,1,2-trichlorotrifluoroethane 742.52
    DMS 143.26
    cumene 12.31
    2-octanol 12.71
    2-hexanone 146.27
    octyl acetate 42.92
    limonene 11.08
    1,2-dimethoxyethane 481.19
    ethyl orthosilicate 39.0
    tributyl phosphate 37.91
    diacetone alcohol 171.8
    N,N-dimethylaniline 78.8
    acrylonitrile 299.17
    aniline 127.74
    1,3-propanediol 186.83
    bromobenzene 92.56
    dibromomethane 275.79
    1,1,2,2-tetrachloroethane 594.85
    2-methyl-cyclohexyl acetate 67.77
    tetrabutyl urea 64.76
    diisobutyl methanol 9.53
    2-phenylethanol 86.14
    styrene 30.69
    dioctyl adipate 64.11
    dimethyl sulfate 616.78
    ethyl butyrate 79.69
    methyl lactate 266.5
    butyl lactate 71.51
    diethyl carbonate 60.6
    propanediol butyl ether 99.14
    triethyl orthoformate 54.35
    p-tert-butyltoluene 7.41
    methyl 4-tert-butylbenzoate 106.81
    morpholine 705.42
    tert-butylamine 14.55
    n-dodecanol 11.1
    dimethoxymethane 891.54
    ethylene carbonate 380.57
    cyrene 253.82
    2-ethoxyethyl acetate 137.91
    2-ethylhexyl acetate 49.31
    1,2,4-trichlorobenzene 163.2
    4-methylpyridine 349.31
    dibutyl ether 23.74
    2,6-dimethyl-4-heptanol 9.53
    DEF 392.43
    dimethyl isosorbide 259.56
    tetrachloroethylene 277.02
    eugenol 118.39
    triacetin 158.32
    span 80 93.79
    1,4-butanediol 72.44
    1,1-dichloroethane 252.31
    2-methyl-1-pentanol 52.41
    methyl formate 716.0
    2-methyl-1-butanol 66.86
    n-decane 1.03
    butyronitrile 124.56
    3,7-dimethyl-1-octanol 21.75
    1-chlorooctane 9.07
    1-chlorotetradecane 3.42
    n-nonane 0.73
    undecane 0.73
    tert-butylcyclohexane 0.95
    cyclooctane 0.45
    cyclopentanol 126.62
    tetrahydropyran 231.76
    tert-amyl methyl ether 38.45
    2,5,8-trioxanonane 230.69
    1-hexene 8.7
    2-isopropoxyethanol 179.37
    2,2,2-trifluoroethanol 276.67
    methyl butyrate 229.61

    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