Lactarorufin A

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  • Identifiers

    CAS number
    35008-20-9

    Molecular formula
    C15H22O4

    SMILES
    C[C@]1(CC2=C(COC2=O)[C@H]([C@H]3[C@@H]1CC(C3)(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.82%
    Sweet 42.6%
    Spicy 37.93%
    Mint 33.01%
    Herbal 30.93%
    Odorless 30.86%
    Balsamic 29.37%
    Camphoreous 28.69%
    Cooling 24.49%
    Dry 24.07%

     

    Flavor
    Bitter 72.66%
    Minty 26.18%
    Cedarleaf 22.75%
    Ripe apricot 22.14%
    Fatty 21.95%
    Red fruit 21.72%
    Herbal 20.92%
    Leaves 20.9%
    Soil 20.83%
    Patchouli 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.0 (neutral)

    Molecular weight
    266.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    669°C

    Flash point

    • 189.52 ˚C est.

  • Synonyms

    • Lactarorufin A
    • 35008-20-9
    • DTXSID10188540
    • Azuleno(5,6-c)furan-1(3H)-one, 4,4a,5,6,7,7a,8,9-octahydro-4,8-dihydroxy-6,6,8-trimethyl-, (4S-(4alpha,4aalpha,7aalpha,8alpha))-
    • (4S,4aR,7aS,8R)-4,8-Dihydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one
    • 35008-20-9

  • Applications

    Lactarorufin A (CAS 35008-20-9) is primarily viewed as a synthetic building block or intermediate in organic synthesis. In practical terms, it may be used as a dye or pigment component for specialty coatings and inks; it could serve as a fluorophore or optoelectronic material in research settings; and it might function as a stabilizer or chelating agent in selective polymer formulations. The specific applications are contingent on regulatory considerations and formulation limits in local markets.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.12
    methanol 159.09
    isopropanol 77.84
    water 1.67
    ethyl acetate 49.46
    n-propanol 68.28
    acetone 98.61
    n-butanol 57.28
    acetonitrile 51.4
    DMF 206.89
    toluene 9.14
    isobutanol 45.1
    1,4-dioxane 97.26
    methyl acetate 58.22
    THF 285.79
    2-butanone 75.22
    n-pentanol 34.08
    sec-butanol 36.91
    n-hexane 0.33
    ethylene glycol 58.94
    NMP 88.15
    cyclohexane 0.57
    DMSO 226.07
    n-butyl acetate 52.83
    n-octanol 25.95
    chloroform 114.73
    n-propyl acetate 40.46
    acetic acid 68.88
    dichloromethane 71.57
    cyclohexanone 80.84
    propylene glycol 45.95
    isopropyl acetate 44.35
    DMAc 156.52
    2-ethoxyethanol 117.2
    isopentanol 52.24
    n-heptane 0.48
    ethyl formate 65.82
    1,2-dichloroethane 49.34
    n-hexanol 48.46
    2-methoxyethanol 217.85
    isobutyl acetate 37.54
    tetrachloromethane 12.64
    n-pentyl acetate 41.36
    transcutol 103.13
    n-heptanol 33.79
    ethylbenzene 8.59
    MIBK 52.93
    2-propoxyethanol 159.75
    tert-butanol 73.47
    MTBE 21.45
    2-butoxyethanol 97.02
    propionic acid 43.13
    o-xylene 8.16
    formic acid 94.51
    diethyl ether 19.48
    m-xylene 11.43
    p-xylene 12.89
    chlorobenzene 22.71
    dimethyl carbonate 43.83
    n-octane 0.57
    formamide 102.9
    cyclopentanone 146.55
    2-pentanone 60.97
    anisole 33.9
    cyclopentyl methyl ether 38.51
    gamma-butyrolactone 146.1
    1-methoxy-2-propanol 153.75
    pyridine 60.01
    3-pentanone 31.15
    furfural 142.0
    n-dodecane 0.76
    diethylene glycol 180.61
    diisopropyl ether 6.97
    tert-amyl alcohol 36.16
    acetylacetone 87.74
    n-hexadecane 0.9
    acetophenone 50.12
    methyl propionate 48.12
    isopentyl acetate 61.13
    trichloroethylene 108.72
    n-nonanol 24.91
    cyclohexanol 26.01
    benzyl alcohol 49.28
    2-ethylhexanol 23.27
    isooctanol 28.06
    dipropyl ether 11.72
    1,2-dichlorobenzene 29.29
    ethyl lactate 48.01
    propylene carbonate 89.21
    n-methylformamide 129.61
    2-pentanol 26.51
    n-pentane 0.35
    1-propoxy-2-propanol 86.31
    1-methoxy-2-propyl acetate 83.49
    2-(2-methoxypropoxy) propanol 64.76
    mesitylene 7.73
    ε-caprolactone 76.96
    p-cymene 10.85
    epichlorohydrin 177.23
    1,1,1-trichloroethane 37.99
    2-aminoethanol 76.36
    morpholine-4-carbaldehyde 150.19
    sulfolane 154.98
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 67.71
    n-hexyl acetate 48.29
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 81.56
    sec-butyl acetate 28.48
    tert-butyl acetate 47.81
    decalin 0.98
    glycerin 100.09
    diglyme 131.46
    acrylic acid 46.37
    isopropyl myristate 19.06
    n-butyric acid 72.18
    acetyl acetate 41.25
    di(2-ethylhexyl) phthalate 28.2
    ethyl propionate 35.18
    nitromethane 141.22
    1,2-diethoxyethane 32.37
    benzonitrile 60.42
    trioctyl phosphate 24.27
    1-bromopropane 16.33
    gamma-valerolactone 200.58
    n-decanol 17.55
    triethyl phosphate 25.4
    4-methyl-2-pentanol 25.08
    propionitrile 49.66
    vinylene carbonate 88.62
    1,1,2-trichlorotrifluoroethane 147.42
    DMS 44.06
    cumene 8.72
    2-octanol 20.56
    2-hexanone 41.33
    octyl acetate 26.68
    limonene 10.23
    1,2-dimethoxyethane 144.56
    ethyl orthosilicate 21.81
    tributyl phosphate 25.46
    diacetone alcohol 87.54
    N,N-dimethylaniline 23.2
    acrylonitrile 75.73
    aniline 24.07
    1,3-propanediol 118.01
    bromobenzene 19.58
    dibromomethane 37.74
    1,1,2,2-tetrachloroethane 87.01
    2-methyl-cyclohexyl acetate 37.52
    tetrabutyl urea 35.48
    diisobutyl methanol 14.13
    2-phenylethanol 65.53
    styrene 7.96
    dioctyl adipate 27.74
    dimethyl sulfate 75.73
    ethyl butyrate 33.63
    methyl lactate 66.72
    butyl lactate 47.96
    diethyl carbonate 27.46
    propanediol butyl ether 73.86
    triethyl orthoformate 25.8
    p-tert-butyltoluene 10.04
    methyl 4-tert-butylbenzoate 55.07
    morpholine 119.85
    tert-butylamine 21.25
    n-dodecanol 12.27
    dimethoxymethane 129.73
    ethylene carbonate 73.55
    cyrene 87.53
    2-ethoxyethyl acetate 59.98
    2-ethylhexyl acetate 41.35
    1,2,4-trichlorobenzene 36.45
    4-methylpyridine 58.26
    dibutyl ether 11.77
    2,6-dimethyl-4-heptanol 14.13
    DEF 51.84
    dimethyl isosorbide 108.3
    tetrachloroethylene 53.73
    eugenol 71.23
    triacetin 47.83
    span 80 48.46
    1,4-butanediol 50.09
    1,1-dichloroethane 41.57
    2-methyl-1-pentanol 30.73
    methyl formate 114.18
    2-methyl-1-butanol 36.78
    n-decane 1.27
    butyronitrile 54.54
    3,7-dimethyl-1-octanol 25.16
    1-chlorooctane 9.15
    1-chlorotetradecane 3.51
    n-nonane 0.95
    undecane 0.96
    tert-butylcyclohexane 1.03
    cyclooctane 0.35
    cyclopentanol 43.03
    tetrahydropyran 50.3
    tert-amyl methyl ether 17.09
    2,5,8-trioxanonane 91.71
    1-hexene 2.49
    2-isopropoxyethanol 75.11
    2,2,2-trifluoroethanol 52.89
    methyl butyrate 50.84

    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