Wine lactone, (3R, 3aR, 7aS)

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C10H14O2

    SMILES
    C[C@@H]1[C@H]2CCC(=C[C@H]2OC1=O)C

  • Odor profile

    Sweet 59.96%
    Spicy 58.1%
    Coumarinic 56.0%
    Coconut 55.97%
    Woody 46.07%
    Mint 41.75%
    Lactonic 40.58%
    Tobacco 40.14%
    Hay 39.91%
    Herbal 38.62%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point est.
    133.53 ˚C

  • Synonyms

    • SCHEMBL4087405
    • NQWBFQXRASPNLB-IWSPIJDZSA-N
    • Wine lactone, (3R, 3aR, 7aS)
    • 3a,4,5,7a-Tetrahydro-3,6-dimethyl-2(3H)-benzofuranon (wine lactone)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.35
    methanol 188.9
    isopropanol 169.44
    water 3.28
    ethyl acetate 198.62
    n-propanol 141.1
    acetone 210.88
    n-butanol 129.03
    acetonitrile 278.28
    DMF 335.63
    toluene 174.1
    isobutanol 122.33
    1,4-dioxane 543.7
    methyl acetate 238.24
    THF 361.73
    2-butanone 210.62
    n-pentanol 92.37
    sec-butanol 138.8
    n-hexane 4.51
    ethylene glycol 53.37
    NMP 251.28
    cyclohexane 18.98
    DMSO 177.71
    n-butyl acetate 136.62
    n-octanol 92.43
    chloroform 854.54
    n-propyl acetate 114.38
    acetic acid 200.45
    dichloromethane 652.67
    cyclohexanone 272.83
    propylene glycol 76.64
    isopropyl acetate 125.15
    DMAc 268.37
    2-ethoxyethanol 153.74
    isopentanol 132.0
    n-heptane 6.48
    ethyl formate 159.99
    1,2-dichloroethane 257.89
    n-hexanol 128.44
    2-methoxyethanol 257.99
    isobutyl acetate 83.07
    tetrachloromethane 91.97
    n-pentyl acetate 98.64
    transcutol 701.38
    n-heptanol 73.1
    ethylbenzene 80.29
    MIBK 111.37
    2-propoxyethanol 224.45
    tert-butanol 191.1
    MTBE 122.15
    2-butoxyethanol 147.42
    propionic acid 151.57
    o-xylene 117.36
    formic acid 91.32
    diethyl ether 107.28
    m-xylene 124.67
    p-xylene 128.62
    chlorobenzene 213.58
    dimethyl carbonate 93.17
    n-octane 5.18
    formamide 168.25
    cyclopentanone 268.21
    2-pentanone 138.57
    anisole 171.61
    cyclopentyl methyl ether 139.48
    gamma-butyrolactone 321.53
    1-methoxy-2-propanol 210.93
    pyridine 368.81
    3-pentanone 110.22
    furfural 358.04
    n-dodecane 9.05
    diethylene glycol 214.71
    diisopropyl ether 44.48
    tert-amyl alcohol 132.33
    acetylacetone 199.45
    n-hexadecane 10.47
    acetophenone 158.62
    methyl propionate 141.28
    isopentyl acetate 138.19
    trichloroethylene 591.15
    n-nonanol 83.63
    cyclohexanol 139.21
    benzyl alcohol 149.13
    2-ethylhexanol 77.74
    isooctanol 67.11
    dipropyl ether 52.52
    1,2-dichlorobenzene 199.01
    ethyl lactate 74.29
    propylene carbonate 230.68
    n-methylformamide 179.04
    2-pentanol 94.46
    n-pentane 7.32
    1-propoxy-2-propanol 147.45
    1-methoxy-2-propyl acetate 167.59
    2-(2-methoxypropoxy) propanol 189.68
    mesitylene 76.99
    ε-caprolactone 249.97
    p-cymene 57.89
    epichlorohydrin 371.93
    1,1,1-trichloroethane 296.91
    2-aminoethanol 102.14
    morpholine-4-carbaldehyde 373.35
    sulfolane 255.32
    2,2,4-trimethylpentane 8.91
    2-methyltetrahydrofuran 254.67
    n-hexyl acetate 160.69
    isooctane 8.4
    2-(2-butoxyethoxy)ethanol 251.06
    sec-butyl acetate 88.19
    tert-butyl acetate 122.41
    decalin 13.92
    glycerin 107.05
    diglyme 399.36
    acrylic acid 140.99
    isopropyl myristate 74.89
    n-butyric acid 182.4
    acetyl acetate 164.92
    di(2-ethylhexyl) phthalate 94.96
    ethyl propionate 100.58
    nitromethane 357.17
    1,2-diethoxyethane 181.46
    benzonitrile 253.56
    trioctyl phosphate 61.7
    1-bromopropane 129.65
    gamma-valerolactone 389.99
    n-decanol 66.87
    triethyl phosphate 60.76
    4-methyl-2-pentanol 82.86
    propionitrile 186.87
    vinylene carbonate 250.48
    1,1,2-trichlorotrifluoroethane 233.16
    DMS 151.28
    cumene 60.08
    2-octanol 58.45
    2-hexanone 102.86
    octyl acetate 94.42
    limonene 68.86
    1,2-dimethoxyethane 239.39
    ethyl orthosilicate 56.15
    tributyl phosphate 75.8
    diacetone alcohol 144.75
    N,N-dimethylaniline 106.44
    acrylonitrile 251.1
    aniline 200.05
    1,3-propanediol 152.07
    bromobenzene 230.94
    dibromomethane 371.76
    1,1,2,2-tetrachloroethane 409.32
    2-methyl-cyclohexyl acetate 106.79
    tetrabutyl urea 87.73
    diisobutyl methanol 53.38
    2-phenylethanol 160.27
    styrene 96.5
    dioctyl adipate 104.58
    dimethyl sulfate 116.79
    ethyl butyrate 96.45
    methyl lactate 97.36
    butyl lactate 94.28
    diethyl carbonate 87.94
    propanediol butyl ether 154.23
    triethyl orthoformate 75.67
    p-tert-butyltoluene 53.83
    methyl 4-tert-butylbenzoate 143.32
    morpholine 425.3
    tert-butylamine 116.16
    n-dodecanol 53.34
    dimethoxymethane 204.11
    ethylene carbonate 202.22
    cyrene 148.56
    2-ethoxyethyl acetate 164.54
    2-ethylhexyl acetate 104.98
    1,2,4-trichlorobenzene 231.1
    4-methylpyridine 345.01
    dibutyl ether 75.48
    2,6-dimethyl-4-heptanol 53.38
    DEF 155.14
    dimethyl isosorbide 254.87
    tetrachloroethylene 252.15
    eugenol 158.72
    triacetin 172.02
    span 80 156.15
    1,4-butanediol 68.64
    1,1-dichloroethane 327.36
    2-methyl-1-pentanol 102.47
    methyl formate 151.78
    2-methyl-1-butanol 111.98
    n-decane 12.02
    butyronitrile 182.38
    3,7-dimethyl-1-octanol 98.93
    1-chlorooctane 51.0
    1-chlorotetradecane 26.38
    n-nonane 9.39
    undecane 10.31
    tert-butylcyclohexane 12.36
    cyclooctane 6.91
    cyclopentanol 142.34
    tetrahydropyran 259.8
    tert-amyl methyl ether 79.67
    2,5,8-trioxanonane 304.66
    1-hexene 25.93
    2-isopropoxyethanol 121.14
    2,2,2-trifluoroethanol 101.61
    methyl butyrate 123.98

    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