Rosmadial

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85514-31-4

    Molecular formula
    C20H24O5

    SMILES
    CC(C)C1=C(C2=C(C(=C1)C=O)[C@]3(CCCC([C@@H]3C=O)(C)C)C(=O)O2)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 37.75%
    Herbal 36.34%
    Mint 34.59%
    Spicy 33.5%
    Odorless 32.28%
    Dry 26.62%
    Green 24.65%
    Phenolic 24.29%
    Cooling 23.59%
    Camphoreous 20.97%

     

    Flavor
    Bitter 78.65%
    Cedarleaf 20.85%
    Lovage 20.57%
    Parsley 20.44%
    Red fruit 19.49%
    Leaves 19.45%
    Ripe apricot 19.32%
    Basil 19.25%
    Heather 19.13%
    Broom 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.54 (neutral)

    Molecular weight
    344.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    978°C

    Flash point

    • 204.85 ˚C est.

  • Synonyms

    • rosmadial
    • 85514-31-4
    • (1'S,3R)-7-hydroxy-2',2'-dimethyl-2-oxo-6-propan-2-ylspiro(1-benzofuran-3,6'-cyclohexane)-1',4-dicarbaldehyde
    • (1'S,3R)-7-hydroxy-2',2'-dimethyl-2-oxo-6-propan-2-ylspiro[1-benzofuran-3,6'-cyclohexane]-1',4-dicarbaldehyde
    • RefChem:179924
    • CHEMBL494864
    • SCHEMBL13294494
    • CHEBI:174644
    • DTXSID601318688
    • (1'R,2'S)-7-Hydroxy-3',3'-dimethyl-2-oxo-6-(propan-2-yl)-2H-spiro[[1]benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyde
    • (1'S,3R)-7-hydroxy-2',2'-dimethyl-2-oxo-6-propan-2-ylspiro[1-benzouran-3,6'-cyclohexane]-1',4-dicarbaldehyde
    • Spiro[benzofuran-3(2H),1'-cyclohexane]-2',4-dicarboxaldehyde, 7-hydroxy-3',3'-dimethyl-6-(1-methylethyl)-2-oxo-, (1'R,2'S)-
    • 85514-31-4

  • Applications

    Rosmadial (CAS 85514-31-4) is a specialty organic chemical used as a synthetic intermediate and solvent in chemical manufacturing; in perfumery and cosmetics it may serve as a fragrance ingredient and a fixative; in the polymer industry it can function as a stabilizer or processing aid; in coatings, inks and paints it is employed as an additive to aid formulation and polymer compatibility; in cleaning formulations it may act as a chelating agent or performance-enhancing additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.14
    methanol 64.9
    isopropanol 44.87
    water 0.11
    ethyl acetate 88.46
    n-propanol 60.48
    acetone 122.81
    n-butanol 68.16
    acetonitrile 72.73
    DMF 293.42
    toluene 70.94
    isobutanol 42.95
    1,4-dioxane 114.77
    methyl acetate 105.78
    THF 310.29
    2-butanone 138.73
    n-pentanol 36.38
    sec-butanol 47.35
    n-hexane 1.09
    ethylene glycol 17.28
    NMP 328.78
    cyclohexane 3.4
    DMSO 175.51
    n-butyl acetate 66.05
    n-octanol 14.6
    chloroform 243.88
    n-propyl acetate 53.92
    acetic acid 123.97
    dichloromethane 193.33
    cyclohexanone 213.79
    propylene glycol 23.72
    isopropyl acetate 67.72
    DMAc 278.56
    2-ethoxyethanol 77.06
    isopentanol 61.15
    n-heptane 0.69
    ethyl formate 70.65
    1,2-dichloroethane 161.51
    n-hexanol 51.54
    2-methoxyethanol 165.74
    isobutyl acetate 39.54
    tetrachloromethane 23.08
    n-pentyl acetate 50.38
    transcutol 116.6
    n-heptanol 25.52
    ethylbenzene 26.51
    MIBK 73.64
    2-propoxyethanol 127.17
    tert-butanol 44.09
    MTBE 29.95
    2-butoxyethanol 72.55
    propionic acid 71.42
    o-xylene 34.02
    formic acid 62.86
    diethyl ether 44.05
    m-xylene 35.9
    p-xylene 32.79
    chlorobenzene 99.65
    dimethyl carbonate 77.54
    n-octane 0.47
    formamide 110.6
    cyclopentanone 274.56
    2-pentanone 107.69
    anisole 59.93
    cyclopentyl methyl ether 94.01
    gamma-butyrolactone 259.78
    1-methoxy-2-propanol 124.65
    pyridine 203.48
    3-pentanone 80.3
    furfural 222.91
    n-dodecane 0.5
    diethylene glycol 94.68
    diisopropyl ether 10.78
    tert-amyl alcohol 41.27
    acetylacetone 122.23
    n-hexadecane 0.61
    acetophenone 82.55
    methyl propionate 100.83
    isopentyl acetate 66.88
    trichloroethylene 331.83
    n-nonanol 16.04
    cyclohexanol 65.23
    benzyl alcohol 77.93
    2-ethylhexanol 26.86
    isooctanol 21.54
    dipropyl ether 16.2
    1,2-dichlorobenzene 88.77
    ethyl lactate 43.53
    propylene carbonate 137.85
    n-methylformamide 145.06
    2-pentanol 37.67
    n-pentane 1.37
    1-propoxy-2-propanol 68.18
    1-methoxy-2-propyl acetate 88.9
    2-(2-methoxypropoxy) propanol 60.96
    mesitylene 16.56
    ε-caprolactone 185.83
    p-cymene 15.36
    epichlorohydrin 354.77
    1,1,1-trichloroethane 107.67
    2-aminoethanol 39.49
    morpholine-4-carbaldehyde 265.94
    sulfolane 271.94
    2,2,4-trimethylpentane 1.26
    2-methyltetrahydrofuran 150.31
    n-hexyl acetate 54.38
    isooctane 0.85
    2-(2-butoxyethoxy)ethanol 72.41
    sec-butyl acetate 43.24
    tert-butyl acetate 65.3
    decalin 2.48
    glycerin 55.02
    diglyme 119.93
    acrylic acid 82.87
    isopropyl myristate 19.12
    n-butyric acid 113.56
    acetyl acetate 69.76
    di(2-ethylhexyl) phthalate 32.18
    ethyl propionate 52.88
    nitromethane 208.51
    1,2-diethoxyethane 40.83
    benzonitrile 95.33
    trioctyl phosphate 22.42
    1-bromopropane 61.25
    gamma-valerolactone 323.25
    n-decanol 11.3
    triethyl phosphate 27.19
    4-methyl-2-pentanol 26.25
    propionitrile 79.57
    vinylene carbonate 140.59
    1,1,2-trichlorotrifluoroethane 197.81
    DMS 72.97
    cumene 16.3
    2-octanol 15.05
    2-hexanone 61.3
    octyl acetate 26.85
    limonene 18.24
    1,2-dimethoxyethane 110.0
    ethyl orthosilicate 24.42
    tributyl phosphate 24.78
    diacetone alcohol 97.5
    N,N-dimethylaniline 38.79
    acrylonitrile 124.27
    aniline 103.23
    1,3-propanediol 82.29
    bromobenzene 90.59
    dibromomethane 114.32
    1,1,2,2-tetrachloroethane 230.7
    2-methyl-cyclohexyl acetate 45.78
    tetrabutyl urea 36.41
    diisobutyl methanol 13.62
    2-phenylethanol 89.04
    styrene 30.94
    dioctyl adipate 30.97
    dimethyl sulfate 122.25
    ethyl butyrate 38.8
    methyl lactate 79.78
    butyl lactate 49.72
    diethyl carbonate 31.91
    propanediol butyl ether 48.99
    triethyl orthoformate 29.49
    p-tert-butyltoluene 13.53
    methyl 4-tert-butylbenzoate 61.16
    morpholine 180.4
    tert-butylamine 17.65
    n-dodecanol 7.87
    dimethoxymethane 146.87
    ethylene carbonate 111.26
    cyrene 86.08
    2-ethoxyethyl acetate 73.06
    2-ethylhexyl acetate 51.21
    1,2,4-trichlorobenzene 110.45
    4-methylpyridine 214.29
    dibutyl ether 11.83
    2,6-dimethyl-4-heptanol 13.62
    DEF 121.22
    dimethyl isosorbide 112.24
    tetrachloroethylene 141.47
    eugenol 68.33
    triacetin 54.2
    span 80 47.63
    1,4-butanediol 26.07
    1,1-dichloroethane 126.0
    2-methyl-1-pentanol 41.37
    methyl formate 113.31
    2-methyl-1-butanol 57.07
    n-decane 0.83
    butyronitrile 78.6
    3,7-dimethyl-1-octanol 18.93
    1-chlorooctane 8.1
    1-chlorotetradecane 3.2
    n-nonane 0.61
    undecane 0.62
    tert-butylcyclohexane 1.78
    cyclooctane 1.02
    cyclopentanol 79.4
    tetrahydropyran 113.15
    tert-amyl methyl ether 31.47
    2,5,8-trioxanonane 78.12
    1-hexene 8.58
    2-isopropoxyethanol 55.19
    2,2,2-trifluoroethanol 62.47
    methyl butyrate 71.7

    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