(-)-Dihydroclusin

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  • Identifiers

    CAS number
    73149-51-6

    Molecular formula
    C22H28O7

    SMILES
    COC1=CC(=CC(=C1OC)OC)C[C@@H](CO)[C@@H](CC2=CC3=C(C=C2)OCO3)CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.66%
    Floral 36.5%
    Vanilla 36.36%
    Balsamic 33.6%
    Sweet 33.31%
    Spicy 31.46%
    Powdery 25.87%
    Fruity 24.77%
    Woody 23.83%
    Warm 22.79%

     

    Flavor
    Bitter 63.87%
    Bland 34.63%
    Odorless 28.96%
    Mild 25.06%
    Sweet-like 23.88%
    Parsley 21.39%
    Cedarleaf 20.68%
    Eugenol 19.96%
    Ethyl benzoate 19.46%
    Lovage 19.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.44 (neutral)

    Molecular weight
    404.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    958°C

    Flash point

    • 188.88 ˚C est.

  • Synonyms

    • (-)-dihydroclusin
    • 73149-51-6
    • CHEMBL469916
    • NSC 332042
    • NSC-332042
    • Dihydroclusin, (-)-
    • JZY8N27PKT
    • DTXSID10318502
    • BDBM50259874
    • NSC332042
    • (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
    • (2R,3R)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
    • (2R,3R)-2-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,4-butanediol
    • 1,4-Butanediol, 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-, (2R,3R)-
    • 1,4-Butanediol, 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-, [R-(R*,R*)]-
    • 73149-51-6

  • Applications

    (-)-Dihydroclusin (CAS 73149-51-6) is a chiral organic compound that may be used as a building block or intermediate in asymmetric synthesis, supporting pharmaceutical, agrochemical, and fine chemical manufacturing. Depending on its odor profile and functional groups, it can be evaluated as a fragrance-related ingredient or odorant for perfumery or personal-care formulations. It may also serve as a chiral precursor or resolving agent in specialty chemical programs, and as a building block for polymers, coatings, or specialty plastics under appropriate purity and regulatory conditions. In research and development, it is commonly evaluated as a stereochemical reagent or intermediate for the preparation of chiral compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.28
    methanol 18.97
    isopropanol 9.23
    water 0.44
    ethyl acetate 13.37
    n-propanol 11.18
    acetone 37.28
    n-butanol 8.45
    acetonitrile 16.43
    DMF 43.48
    toluene 2.5
    isobutanol 7.41
    1,4-dioxane 29.64
    methyl acetate 16.14
    THF 56.44
    2-butanone 18.87
    n-pentanol 8.35
    sec-butanol 7.49
    n-hexane 0.24
    ethylene glycol 13.52
    NMP 28.98
    cyclohexane 0.72
    DMSO 190.92
    n-butyl acetate 7.49
    n-octanol 7.79
    chloroform 46.83
    n-propyl acetate 9.21
    acetic acid 57.41
    dichloromethane 41.99
    cyclohexanone 30.84
    propylene glycol 9.45
    isopropyl acetate 9.01
    DMAc 61.56
    2-ethoxyethanol 36.37
    isopentanol 8.22
    n-heptane 0.46
    ethyl formate 16.2
    1,2-dichloroethane 25.29
    n-hexanol 7.37
    2-methoxyethanol 44.7
    isobutyl acetate 6.86
    tetrachloromethane 5.93
    n-pentyl acetate 11.25
    transcutol 49.18
    n-heptanol 8.79
    ethylbenzene 1.78
    MIBK 9.79
    2-propoxyethanol 29.22
    tert-butanol 10.96
    MTBE 4.78
    2-butoxyethanol 25.59
    propionic acid 16.95
    o-xylene 2.31
    formic acid 36.65
    diethyl ether 6.27
    m-xylene 1.9
    p-xylene 2.57
    chlorobenzene 6.05
    dimethyl carbonate 16.34
    n-octane 0.51
    formamide 53.11
    cyclopentanone 43.74
    2-pentanone 13.99
    anisole 5.58
    cyclopentyl methyl ether 8.78
    gamma-butyrolactone 47.81
    1-methoxy-2-propanol 26.51
    pyridine 18.74
    3-pentanone 10.58
    furfural 37.88
    n-dodecane 0.56
    diethylene glycol 39.72
    diisopropyl ether 1.84
    tert-amyl alcohol 8.52
    acetylacetone 30.27
    n-hexadecane 0.63
    acetophenone 11.37
    methyl propionate 13.73
    isopentyl acetate 8.51
    trichloroethylene 47.1
    n-nonanol 8.4
    cyclohexanol 8.37
    benzyl alcohol 10.64
    2-ethylhexanol 4.86
    isooctanol 7.84
    dipropyl ether 4.43
    1,2-dichlorobenzene 8.0
    ethyl lactate 12.7
    propylene carbonate 21.73
    n-methylformamide 27.14
    2-pentanol 4.46
    n-pentane 0.27
    1-propoxy-2-propanol 16.68
    1-methoxy-2-propyl acetate 15.5
    2-(2-methoxypropoxy) propanol 22.38
    mesitylene 1.36
    ε-caprolactone 24.29
    p-cymene 2.55
    epichlorohydrin 52.07
    1,1,1-trichloroethane 15.95
    2-aminoethanol 15.69
    morpholine-4-carbaldehyde 38.08
    sulfolane 71.48
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 15.04
    n-hexyl acetate 11.94
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 28.64
    sec-butyl acetate 5.35
    tert-butyl acetate 10.41
    decalin 0.46
    glycerin 25.97
    diglyme 50.98
    acrylic acid 23.28
    isopropyl myristate 5.79
    n-butyric acid 19.75
    acetyl acetate 15.55
    di(2-ethylhexyl) phthalate 9.34
    ethyl propionate 7.68
    nitromethane 89.24
    1,2-diethoxyethane 13.34
    benzonitrile 11.76
    trioctyl phosphate 7.54
    1-bromopropane 6.48
    gamma-valerolactone 53.62
    n-decanol 6.22
    triethyl phosphate 7.65
    4-methyl-2-pentanol 3.76
    propionitrile 11.33
    vinylene carbonate 23.02
    1,1,2-trichlorotrifluoroethane 61.06
    DMS 13.44
    cumene 1.65
    2-octanol 5.46
    2-hexanone 10.48
    octyl acetate 7.89
    limonene 3.14
    1,2-dimethoxyethane 35.15
    ethyl orthosilicate 6.82
    tributyl phosphate 7.88
    diacetone alcohol 20.46
    N,N-dimethylaniline 4.83
    acrylonitrile 18.19
    aniline 6.08
    1,3-propanediol 22.67
    bromobenzene 5.19
    dibromomethane 22.58
    1,1,2,2-tetrachloroethane 38.63
    2-methyl-cyclohexyl acetate 8.99
    tetrabutyl urea 11.62
    diisobutyl methanol 3.32
    2-phenylethanol 11.5
    styrene 1.93
    dioctyl adipate 10.94
    dimethyl sulfate 32.83
    ethyl butyrate 7.29
    methyl lactate 18.4
    butyl lactate 13.4
    diethyl carbonate 6.95
    propanediol butyl ether 19.59
    triethyl orthoformate 7.43
    p-tert-butyltoluene 2.2
    methyl 4-tert-butylbenzoate 18.08
    morpholine 29.26
    tert-butylamine 3.94
    n-dodecanol 4.61
    dimethoxymethane 34.89
    ethylene carbonate 19.65
    cyrene 28.92
    2-ethoxyethyl acetate 20.46
    2-ethylhexyl acetate 6.17
    1,2,4-trichlorobenzene 10.4
    4-methylpyridine 10.73
    dibutyl ether 5.63
    2,6-dimethyl-4-heptanol 3.32
    DEF 16.23
    dimethyl isosorbide 32.62
    tetrachloroethylene 26.67
    eugenol 19.71
    triacetin 20.81
    span 80 17.08
    1,4-butanediol 13.46
    1,1-dichloroethane 14.72
    2-methyl-1-pentanol 7.52
    methyl formate 27.86
    2-methyl-1-butanol 7.28
    n-decane 0.91
    butyronitrile 9.25
    3,7-dimethyl-1-octanol 6.29
    1-chlorooctane 3.67
    1-chlorotetradecane 1.77
    n-nonane 0.73
    undecane 0.69
    tert-butylcyclohexane 0.33
    cyclooctane 0.3
    cyclopentanol 11.09
    tetrahydropyran 13.93
    tert-amyl methyl ether 4.27
    2,5,8-trioxanonane 39.17
    1-hexene 1.0
    2-isopropoxyethanol 23.02
    2,2,2-trifluoroethanol 36.9
    methyl butyrate 10.41

    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