Tuberolactone

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  • Identifiers

    CAS number
    60503-15-3

    Molecular formula
    C10H14O2

    SMILES
    CC/C=C\C[C@@H]1CC=CC(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 59.73%
    Fatty 57.2%
    Coconut 56.76%
    Green 50.49%
    Lactonic 47.41%
    Sweet 46.26%
    Buttery 46.21%
    Creamy 45.62%
    Spicy 45.43%
    Dairy 43.95%

     

    Flavor
    Spice 38.29%
    Herbal 36.64%
    Fatty 35.64%
    Fresh 32.39%
    Oily 29.8%
    Spicy 29.74%
    Warm 22.22%
    Celery 22.19%
    Minty 21.49%
    Floral 21.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.6 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    301°C

    Flash point

    • 112.16 ˚C est.

  • Synonyms

    • Tuberolactone
    • 60503-15-3
    • (R)-5,6-Dihydro-6-[(Z)-2-pentenyl]-2H-pyran-2-one
    • SCHEMBL19667650
    • DTXSID401019195
    • (6R)-6-[(2Z)-pent-2-en-1-yl]-5,6-dihydro-2H-pyran-2-one
    • DB-310293
    • (R)-5,6-dihydro-6-[(z)-2-pentenyl ]-2h-pyran-2-one
    • 60503-15-3

  • Applications

    Tuberolactone (CAS 60503-15-3) is a lactone commonly considered as a fragrance ingredient and odorant, potentially functioning as a fixative or aroma modifier in perfumery formulations. It is also evaluated for use in cosmetics and personal care products as a fragrance component, and may be added to household products as a fragrance additive. In industrial manufacturing, it can serve as an intermediate in organic synthesis for specialty chemicals. In coatings and inks, it may be used as an odorant additive to impart or stabilize a fragrance profile. In polymer science, it can act as a precursor for lactone-containing polymers or related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 587.77
    methanol 588.21
    isopropanol 347.16
    water 0.08
    ethyl acetate 529.84
    n-propanol 389.93
    acetone 940.14
    n-butanol 347.8
    acetonitrile 430.99
    DMF 1224.16
    toluene 275.03
    isobutanol 246.91
    1,4-dioxane 641.99
    methyl acetate 407.65
    THF 1038.01
    2-butanone 585.7
    n-pentanol 249.12
    sec-butanol 267.35
    n-hexane 34.28
    ethylene glycol 81.31
    NMP 918.47
    cyclohexane 44.17
    DMSO 1789.36
    n-butyl acetate 389.74
    n-octanol 98.02
    chloroform 1249.19
    n-propyl acetate 276.76
    acetic acid 465.62
    dichloromethane 1275.09
    cyclohexanone 760.08
    propylene glycol 137.79
    isopropyl acetate 298.44
    DMAc 745.06
    2-ethoxyethanol 288.89
    isopentanol 297.0
    n-heptane 13.46
    ethyl formate 228.92
    1,2-dichloroethane 871.45
    n-hexanol 272.77
    2-methoxyethanol 536.56
    isobutyl acetate 184.59
    tetrachloromethane 89.35
    n-pentyl acetate 182.58
    transcutol 2152.35
    n-heptanol 82.79
    ethylbenzene 114.89
    MIBK 271.33
    2-propoxyethanol 423.03
    tert-butanol 413.08
    MTBE 366.91
    2-butoxyethanol 188.6
    propionic acid 334.39
    o-xylene 130.87
    formic acid 107.1
    diethyl ether 467.77
    m-xylene 171.49
    p-xylene 130.82
    chlorobenzene 386.18
    dimethyl carbonate 162.33
    n-octane 6.23
    formamide 187.44
    cyclopentanone 915.73
    2-pentanone 514.33
    anisole 266.59
    cyclopentyl methyl ether 463.98
    gamma-butyrolactone 924.71
    1-methoxy-2-propanol 473.23
    pyridine 697.07
    3-pentanone 333.28
    furfural 624.04
    n-dodecane 7.1
    diethylene glycol 306.23
    diisopropyl ether 110.82
    tert-amyl alcohol 288.02
    acetylacetone 536.01
    n-hexadecane 8.48
    acetophenone 245.05
    methyl propionate 424.23
    isopentyl acetate 330.9
    trichloroethylene 1475.46
    n-nonanol 85.76
    cyclohexanol 310.96
    benzyl alcohol 223.03
    2-ethylhexanol 147.43
    isooctanol 73.02
    dipropyl ether 162.21
    1,2-dichlorobenzene 317.41
    ethyl lactate 119.97
    propylene carbonate 428.77
    n-methylformamide 391.26
    2-pentanol 226.93
    n-pentane 24.95
    1-propoxy-2-propanol 303.54
    1-methoxy-2-propyl acetate 350.15
    2-(2-methoxypropoxy) propanol 293.17
    mesitylene 100.82
    ε-caprolactone 556.06
    p-cymene 67.18
    epichlorohydrin 1031.16
    1,1,1-trichloroethane 544.27
    2-aminoethanol 189.6
    morpholine-4-carbaldehyde 639.07
    sulfolane 1185.19
    2,2,4-trimethylpentane 18.81
    2-methyltetrahydrofuran 729.68
    n-hexyl acetate 292.72
    isooctane 16.94
    2-(2-butoxyethoxy)ethanol 411.82
    sec-butyl acetate 191.83
    tert-butyl acetate 321.55
    decalin 30.96
    glycerin 188.09
    diglyme 683.29
    acrylic acid 276.18
    isopropyl myristate 103.28
    n-butyric acid 462.12
    acetyl acetate 296.85
    di(2-ethylhexyl) phthalate 116.14
    ethyl propionate 236.35
    nitromethane 715.12
    1,2-diethoxyethane 491.36
    benzonitrile 319.39
    trioctyl phosphate 73.72
    1-bromopropane 469.51
    gamma-valerolactone 839.35
    n-decanol 65.18
    triethyl phosphate 101.69
    4-methyl-2-pentanol 131.96
    propionitrile 327.82
    vinylene carbonate 370.47
    1,1,2-trichlorotrifluoroethane 563.88
    DMS 255.42
    cumene 78.25
    2-octanol 62.64
    2-hexanone 304.11
    octyl acetate 134.4
    limonene 105.3
    1,2-dimethoxyethane 486.31
    ethyl orthosilicate 97.1
    tributyl phosphate 109.52
    diacetone alcohol 333.55
    N,N-dimethylaniline 165.24
    acrylonitrile 448.24
    aniline 346.23
    1,3-propanediol 265.14
    bromobenzene 450.97
    dibromomethane 835.63
    1,1,2,2-tetrachloroethane 1104.11
    2-methyl-cyclohexyl acetate 176.15
    tetrabutyl urea 142.24
    diisobutyl methanol 84.46
    2-phenylethanol 218.92
    styrene 180.29
    dioctyl adipate 171.96
    dimethyl sulfate 293.06
    ethyl butyrate 210.24
    methyl lactate 180.56
    butyl lactate 158.85
    diethyl carbonate 150.57
    propanediol butyl ether 238.12
    triethyl orthoformate 140.18
    p-tert-butyltoluene 66.58
    methyl 4-tert-butylbenzoate 195.71
    morpholine 802.36
    tert-butylamine 235.75
    n-dodecanol 50.33
    dimethoxymethane 529.34
    ethylene carbonate 294.42
    cyrene 221.61
    2-ethoxyethyl acetate 310.67
    2-ethylhexyl acetate 240.11
    1,2,4-trichlorobenzene 393.11
    4-methylpyridine 651.59
    dibutyl ether 167.06
    2,6-dimethyl-4-heptanol 84.46
    DEF 536.16
    dimethyl isosorbide 424.26
    tetrachloroethylene 559.16
    eugenol 207.72
    triacetin 276.28
    span 80 224.0
    1,4-butanediol 101.79
    1,1-dichloroethane 743.15
    2-methyl-1-pentanol 227.7
    methyl formate 250.73
    2-methyl-1-butanol 262.72
    n-decane 10.78
    butyronitrile 369.11
    3,7-dimethyl-1-octanol 122.29
    1-chlorooctane 75.14
    1-chlorotetradecane 31.1
    n-nonane 9.91
    undecane 8.51
    tert-butylcyclohexane 29.16
    cyclooctane 13.01
    cyclopentanol 311.98
    tetrahydropyran 726.1
    tert-amyl methyl ether 238.61
    2,5,8-trioxanonane 474.5
    1-hexene 173.4
    2-isopropoxyethanol 225.6
    2,2,2-trifluoroethanol 103.77
    methyl butyrate 324.23

    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