Rishitin

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  • Identifiers

    CAS number
    18178-54-6

    Molecular formula
    C14H22O2

    SMILES
    C[C@@H]1[C@H]([C@@H](CC2=C1C[C@@H](CC2)C(=C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 51.12%
    Spicy 50.84%
    Sweet 36.4%
    Herbal 29.76%
    Citrus 28.0%
    Mint 26.85%
    Balsamic 26.17%
    Warm 24.77%
    Dry 24.65%
    Fresh 24.63%

     

    Flavor
    Herbal 45.07%
    Minty 43.91%
    Fresh 36.44%
    Bitter 36.23%
    Herb 30.74%
    Spice 29.46%
    Mint 27.87%
    Spicy 27.38%
    Woody 27.35%
    Spearmint 26.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.48 (weak base)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    399°C

    Flash point

    • 138.94 ˚C est.

  • Synonyms

    • Rishitin
    • (-)-Rishitin
    • 18178-54-6
    • FQY1K3HR10
    • DTXSID60171184
    • (1S,2R,3R,7R)-1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1S,2R,3R,7R)-
    • (1S,2R,3R,7R)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • RefChem:179492
    • DTXCID6093675
    • (1s,2r,3r,7r)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • C09715
    • UNII-FQY1K3HR10
    • Risbitin
    • CHEBI:8870
    • SCHEMBL1840048
    • (1alpha,2beta,3alpha,7beta)-(-)-1,2,3,4,5,6,7,8-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol
    • 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1alpha,2beta,3alpha,7beta)-(-)-
    • Q27108165
    • 7-Isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-2,3-naphthalenediol
    • 7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-naphthalene-2,3-diol
    • rel-(1R,2S,3S,7S)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • InChI=1/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s
    • 18178-54-6

  • Applications

    Rishitin (CAS 18178-54-6) is a natural product of interest as a fragrance-related compound and as a potential chemical intermediate for further synthesis. In perfumery and cosmetics, it may be used as an odorant or aroma component, contributing to specific scent profiles. In industrial manufacturing, it is evaluated as a chemical intermediate for downstream syntheses. It may serve in coatings and inks as an additive or processing aid and can be considered for formulation in cleaning products where a fragrance component is desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 305.19
    methanol 408.51
    isopropanol 266.59
    water 0.71
    ethyl acetate 197.85
    n-propanol 243.6
    acetone 158.22
    n-butanol 225.32
    acetonitrile 125.6
    DMF 170.43
    toluene 96.05
    isobutanol 129.64
    1,4-dioxane 718.87
    methyl acetate 138.78
    THF 748.7
    2-butanone 144.46
    n-pentanol 71.33
    sec-butanol 83.24
    n-hexane 1.23
    ethylene glycol 29.35
    NMP 58.42
    cyclohexane 6.82
    DMSO 194.64
    n-butyl acetate 152.45
    n-octanol 43.84
    chloroform 232.77
    n-propyl acetate 95.38
    acetic acid 154.3
    dichloromethane 173.17
    cyclohexanone 184.85
    propylene glycol 41.52
    isopropyl acetate 133.91
    DMAc 121.98
    2-ethoxyethanol 190.79
    isopentanol 177.36
    n-heptane 2.82
    ethyl formate 124.7
    1,2-dichloroethane 126.62
    n-hexanol 137.27
    2-methoxyethanol 452.88
    isobutyl acetate 62.14
    tetrachloromethane 32.77
    n-pentyl acetate 81.09
    transcutol 923.78
    n-heptanol 67.11
    ethylbenzene 31.78
    MIBK 102.53
    2-propoxyethanol 304.53
    tert-butanol 307.37
    MTBE 166.46
    2-butoxyethanol 155.44
    propionic acid 88.77
    o-xylene 47.67
    formic acid 77.45
    diethyl ether 161.25
    m-xylene 65.91
    p-xylene 37.37
    chlorobenzene 83.2
    dimethyl carbonate 49.16
    n-octane 1.85
    formamide 138.14
    cyclopentanone 229.42
    2-pentanone 136.36
    anisole 94.61
    cyclopentyl methyl ether 152.64
    gamma-butyrolactone 239.4
    1-methoxy-2-propanol 311.07
    pyridine 259.91
    3-pentanone 65.64
    furfural 226.87
    n-dodecane 1.47
    diethylene glycol 214.89
    diisopropyl ether 35.27
    tert-amyl alcohol 103.66
    acetylacetone 178.36
    n-hexadecane 1.77
    acetophenone 75.7
    methyl propionate 97.62
    isopentyl acetate 145.96
    trichloroethylene 250.42
    n-nonanol 41.37
    cyclohexanol 98.11
    benzyl alcohol 86.46
    2-ethylhexanol 59.71
    isooctanol 53.47
    dipropyl ether 65.71
    1,2-dichlorobenzene 67.07
    ethyl lactate 45.84
    propylene carbonate 122.27
    n-methylformamide 143.81
    2-pentanol 93.35
    n-pentane 2.38
    1-propoxy-2-propanol 204.23
    1-methoxy-2-propyl acetate 177.42
    2-(2-methoxypropoxy) propanol 120.51
    mesitylene 37.25
    ε-caprolactone 157.6
    p-cymene 27.55
    epichlorohydrin 328.36
    1,1,1-trichloroethane 89.07
    2-aminoethanol 95.27
    morpholine-4-carbaldehyde 210.86
    sulfolane 159.57
    2,2,4-trimethylpentane 2.53
    2-methyltetrahydrofuran 232.12
    n-hexyl acetate 90.05
    isooctane 3.8
    2-(2-butoxyethoxy)ethanol 217.34
    sec-butyl acetate 63.39
    tert-butyl acetate 142.11
    decalin 3.67
    glycerin 79.73
    diglyme 418.4
    acrylic acid 64.73
    isopropyl myristate 31.09
    n-butyric acid 213.11
    acetyl acetate 100.87
    di(2-ethylhexyl) phthalate 39.37
    ethyl propionate 63.51
    nitromethane 237.0
    1,2-diethoxyethane 237.32
    benzonitrile 103.72
    trioctyl phosphate 27.6
    1-bromopropane 42.38
    gamma-valerolactone 341.13
    n-decanol 28.18
    triethyl phosphate 37.49
    4-methyl-2-pentanol 70.9
    propionitrile 107.57
    vinylene carbonate 121.41
    1,1,2-trichlorotrifluoroethane 163.05
    DMS 68.64
    cumene 23.34
    2-octanol 35.42
    2-hexanone 69.88
    octyl acetate 39.16
    limonene 31.93
    1,2-dimethoxyethane 339.8
    ethyl orthosilicate 40.54
    tributyl phosphate 31.98
    diacetone alcohol 161.93
    N,N-dimethylaniline 54.48
    acrylonitrile 127.82
    aniline 136.89
    1,3-propanediol 259.87
    bromobenzene 72.31
    dibromomethane 91.37
    1,1,2,2-tetrachloroethane 178.08
    2-methyl-cyclohexyl acetate 62.88
    tetrabutyl urea 38.7
    diisobutyl methanol 43.0
    2-phenylethanol 110.16
    styrene 35.16
    dioctyl adipate 45.25
    dimethyl sulfate 56.16
    ethyl butyrate 87.41
    methyl lactate 59.49
    butyl lactate 72.84
    diethyl carbonate 52.45
    propanediol butyl ether 124.05
    triethyl orthoformate 66.35
    p-tert-butyltoluene 30.98
    methyl 4-tert-butylbenzoate 85.48
    morpholine 617.34
    tert-butylamine 124.76
    n-dodecanol 19.4
    dimethoxymethane 265.16
    ethylene carbonate 113.4
    cyrene 88.27
    2-ethoxyethyl acetate 144.32
    2-ethylhexyl acetate 90.86
    1,2,4-trichlorobenzene 76.61
    4-methylpyridine 189.56
    dibutyl ether 49.06
    2,6-dimethyl-4-heptanol 43.0
    DEF 97.04
    dimethyl isosorbide 185.49
    tetrachloroethylene 126.96
    eugenol 90.69
    triacetin 89.33
    span 80 93.62
    1,4-butanediol 43.82
    1,1-dichloroethane 101.15
    2-methyl-1-pentanol 62.41
    methyl formate 108.73
    2-methyl-1-butanol 98.53
    n-decane 2.89
    butyronitrile 137.38
    3,7-dimethyl-1-octanol 49.28
    1-chlorooctane 16.88
    1-chlorotetradecane 5.67
    n-nonane 2.38
    undecane 1.96
    tert-butylcyclohexane 3.81
    cyclooctane 2.58
    cyclopentanol 100.96
    tetrahydropyran 399.01
    tert-amyl methyl ether 64.54
    2,5,8-trioxanonane 233.01
    1-hexene 9.34
    2-isopropoxyethanol 123.13
    2,2,2-trifluoroethanol 49.33
    methyl butyrate 89.28

    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