Dehydrololiolide, (R)-

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  • Identifiers

    CAS number
    1133-04-6

    Molecular formula
    C11H14O3

    SMILES
    C[C@@]12CC(=O)CC(C1=CC(=O)O2)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.15%
    Sweet 61.9%
    Tobacco 59.28%
    Fruity 56.47%
    Floral 43.33%
    Berry 36.87%
    Powdery 35.79%
    Mint 35.13%
    Tea 34.27%
    Nutty 34.14%

     

    Flavor
    Tobacco 47.97%
    Woody 45.54%
    Fruity 43.77%
    Minty 38.9%
    Sweet 34.35%
    Herbal 31.1%
    Camphor 27.73%
    Coumarin 26.66%
    Musty 24.24%
    Caramel 23.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.96 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 161.82 ˚C est.

  • Synonyms

    • Dehydrololiolide, (R)-
    • 4IGM2F047G
    • UNII-4IGM2F047G
    • 1133-04-6
    • 2,6-Benzofurandione, 4,5,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-
    • 3-oxo-3,4-dihydro-actinidiolide
    • DJSMGUVSIWKZJW-LLVKDONJSA-N
    • DTXSID901377009
    • 1133-04-6

  • Applications

    Dehydrololiolide, (R)- (CAS 1133-04-6) is a lactone odorant used primarily in perfumery as a natural- or synthetic-like fragrance component; it may also be evaluated as a flavor/aroma ingredient in selected formulations; in cosmetics and personal care, it is incorporated as a fragrance ingredient; in household products such as cleaners and detergents, it provides scent; and it can serve as an intermediate or building block in the synthesis of more complex fragrance molecules in industrial manufacturing. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.44
    methanol 95.02
    isopropanol 46.42
    water 3.25
    ethyl acetate 153.2
    n-propanol 51.29
    acetone 173.46
    n-butanol 42.17
    acetonitrile 223.08
    DMF 365.96
    toluene 89.67
    isobutanol 36.87
    1,4-dioxane 241.33
    methyl acetate 169.41
    THF 396.52
    2-butanone 111.0
    n-pentanol 30.29
    sec-butanol 40.78
    n-hexane 4.73
    ethylene glycol 40.99
    NMP 395.46
    cyclohexane 7.06
    DMSO 201.05
    n-butyl acetate 69.12
    n-octanol 42.43
    chloroform 326.29
    n-propyl acetate 66.53
    acetic acid 160.85
    dichloromethane 276.3
    cyclohexanone 168.43
    propylene glycol 48.03
    isopropyl acetate 89.59
    DMAc 265.3
    2-ethoxyethanol 73.26
    isopentanol 36.03
    n-heptane 3.9
    ethyl formate 111.61
    1,2-dichloroethane 139.14
    n-hexanol 56.56
    2-methoxyethanol 174.76
    isobutyl acetate 48.4
    tetrachloromethane 32.02
    n-pentyl acetate 55.3
    transcutol 249.36
    n-heptanol 31.1
    ethylbenzene 32.41
    MIBK 69.45
    2-propoxyethanol 156.78
    tert-butanol 57.96
    MTBE 39.72
    2-butoxyethanol 73.97
    propionic acid 104.23
    o-xylene 47.42
    formic acid 120.58
    diethyl ether 64.04
    m-xylene 69.38
    p-xylene 41.8
    chlorobenzene 115.33
    dimethyl carbonate 132.76
    n-octane 2.22
    formamide 140.23
    cyclopentanone 283.78
    2-pentanone 101.62
    anisole 93.44
    cyclopentyl methyl ether 144.59
    gamma-butyrolactone 427.65
    1-methoxy-2-propanol 151.89
    pyridine 201.06
    3-pentanone 83.92
    furfural 327.88
    n-dodecane 3.18
    diethylene glycol 140.19
    diisopropyl ether 24.52
    tert-amyl alcohol 42.72
    acetylacetone 197.51
    n-hexadecane 3.77
    acetophenone 93.19
    methyl propionate 155.13
    isopentyl acetate 62.6
    trichloroethylene 323.36
    n-nonanol 37.32
    cyclohexanol 55.32
    benzyl alcohol 68.55
    2-ethylhexanol 31.73
    isooctanol 24.9
    dipropyl ether 37.8
    1,2-dichlorobenzene 105.11
    ethyl lactate 57.04
    propylene carbonate 193.52
    n-methylformamide 201.08
    2-pentanol 30.94
    n-pentane 4.16
    1-propoxy-2-propanol 91.36
    1-methoxy-2-propyl acetate 118.0
    2-(2-methoxypropoxy) propanol 91.13
    mesitylene 36.13
    ε-caprolactone 175.56
    p-cymene 23.83
    epichlorohydrin 337.47
    1,1,1-trichloroethane 134.23
    2-aminoethanol 58.22
    morpholine-4-carbaldehyde 331.99
    sulfolane 334.23
    2,2,4-trimethylpentane 2.73
    2-methyltetrahydrofuran 189.88
    n-hexyl acetate 94.74
    isooctane 2.89
    2-(2-butoxyethoxy)ethanol 110.81
    sec-butyl acetate 49.63
    tert-butyl acetate 85.66
    decalin 6.09
    glycerin 93.3
    diglyme 183.93
    acrylic acid 125.34
    isopropyl myristate 37.67
    n-butyric acid 102.5
    acetyl acetate 141.31
    di(2-ethylhexyl) phthalate 44.28
    ethyl propionate 81.54
    nitromethane 433.43
    1,2-diethoxyethane 67.05
    benzonitrile 114.68
    trioctyl phosphate 33.7
    1-bromopropane 64.22
    gamma-valerolactone 368.26
    n-decanol 27.74
    triethyl phosphate 40.71
    4-methyl-2-pentanol 24.82
    propionitrile 111.6
    vinylene carbonate 212.26
    1,1,2-trichlorotrifluoroethane 211.55
    DMS 120.57
    cumene 24.33
    2-octanol 24.34
    2-hexanone 59.16
    octyl acetate 49.25
    limonene 28.05
    1,2-dimethoxyethane 137.76
    ethyl orthosilicate 34.54
    tributyl phosphate 40.98
    diacetone alcohol 102.18
    N,N-dimethylaniline 62.64
    acrylonitrile 191.97
    aniline 95.66
    1,3-propanediol 71.0
    bromobenzene 109.67
    dibromomethane 165.3
    1,1,2,2-tetrachloroethane 211.09
    2-methyl-cyclohexyl acetate 55.8
    tetrabutyl urea 57.31
    diisobutyl methanol 20.4
    2-phenylethanol 84.11
    styrene 39.03
    dioctyl adipate 55.17
    dimethyl sulfate 204.59
    ethyl butyrate 57.02
    methyl lactate 107.66
    butyl lactate 54.31
    diethyl carbonate 47.3
    propanediol butyl ether 76.75
    triethyl orthoformate 44.64
    p-tert-butyltoluene 23.38
    methyl 4-tert-butylbenzoate 93.43
    morpholine 222.17
    tert-butylamine 30.67
    n-dodecanol 21.4
    dimethoxymethane 225.19
    ethylene carbonate 155.75
    cyrene 111.05
    2-ethoxyethyl acetate 88.18
    2-ethylhexyl acetate 50.61
    1,2,4-trichlorobenzene 127.05
    4-methylpyridine 189.99
    dibutyl ether 33.4
    2,6-dimethyl-4-heptanol 20.4
    DEF 127.62
    dimethyl isosorbide 176.45
    tetrachloroethylene 114.09
    eugenol 91.68
    triacetin 95.36
    span 80 75.98
    1,4-butanediol 27.07
    1,1-dichloroethane 132.1
    2-methyl-1-pentanol 28.39
    methyl formate 207.77
    2-methyl-1-butanol 34.13
    n-decane 4.75
    butyronitrile 87.9
    3,7-dimethyl-1-octanol 37.09
    1-chlorooctane 26.71
    1-chlorotetradecane 12.28
    n-nonane 4.17
    undecane 3.85
    tert-butylcyclohexane 5.41
    cyclooctane 3.18
    cyclopentanol 82.52
    tetrahydropyran 140.86
    tert-amyl methyl ether 38.66
    2,5,8-trioxanonane 141.21
    1-hexene 17.79
    2-isopropoxyethanol 54.61
    2,2,2-trifluoroethanol 113.11
    methyl butyrate 85.88

    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