Carinol

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  • Identifiers

    CAS number
    58139-12-1

    Molecular formula
    C20H26O7

    SMILES
    COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)(CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 53.69%
    Sweet 53.63%
    Odorless 44.34%
    Balsamic 42.02%
    Spicy 32.77%
    Creamy 31.17%
    Powdery 29.89%
    Phenolic 28.08%
    Milky 26.64%
    Smoky 22.84%

     

    Flavor
    Bitter 53.49%
    Odorless 43.74%
    Mild 32.87%
    Bland 32.0%
    Sweet 30.39%
    Sweet-like 26.3%
    Eugenol 20.31%
    Ham 19.7%
    Parsley 19.68%
    Fir 19.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    10.08 (weak base)

    Molecular weight
    378.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1050°C

    Flash point

    • 258.32 ˚C est.

  • Synonyms

    • Carinol
    • RefChem:123729
    • 58139-12-1
    • INPPVVSEQRZCLJ-UHFFFAOYSA-N
    • 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,2,4-triol
    • 2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,2,4-butanetriol
    • CHEBI:172610
    • 4,4',8,9,9'-Pentahydroxy-3,3'-dimethoxylignan
    • 2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,2,4-butanetriol #
    • 2,3-Bis(4-hydroxy-3-methylphenyl)methyl-1,2,4-butanetriol, 9CI
    • 58139-12-1

  • Applications

    Carinol (CAS 58139-12-1) is primarily used as a fragrance ingredient in perfumery, serving as an odorant with potential fixative properties in scented formulations. It is commonly evaluated for use in cosmetics and personal care products to impart or stabilize aroma, and in household products such as air fresheners and cleaners as a fragrance component. In industrial manufacturing, it may be employed as an additive for coatings, inks, adhesives, and polymer formulations to introduce or preserve fragrance. Its use is generally formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.12
    methanol 103.57
    isopropanol 23.26
    water 0.37
    ethyl acetate 9.45
    n-propanol 35.71
    acetone 46.76
    n-butanol 14.3
    acetonitrile 7.5
    DMF 140.65
    toluene 0.85
    isobutanol 9.21
    1,4-dioxane 44.52
    methyl acetate 11.45
    THF 227.86
    2-butanone 19.65
    n-pentanol 7.79
    sec-butanol 14.46
    n-hexane 0.13
    ethylene glycol 56.92
    NMP 48.76
    cyclohexane 0.27
    DMSO 1519.25
    n-butyl acetate 1.98
    n-octanol 5.42
    chloroform 4.27
    n-propyl acetate 3.17
    acetic acid 86.98
    dichloromethane 4.25
    cyclohexanone 22.39
    propylene glycol 55.44
    isopropyl acetate 5.36
    DMAc 132.05
    2-ethoxyethanol 79.77
    isopentanol 7.07
    n-heptane 0.28
    ethyl formate 9.95
    1,2-dichloroethane 5.21
    n-hexanol 5.28
    2-methoxyethanol 198.25
    isobutyl acetate 1.42
    tetrachloromethane 0.79
    n-pentyl acetate 4.35
    transcutol 63.75
    n-heptanol 6.41
    ethylbenzene 0.54
    MIBK 6.65
    2-propoxyethanol 40.59
    tert-butanol 23.35
    MTBE 6.15
    2-butoxyethanol 21.85
    propionic acid 22.25
    o-xylene 0.96
    formic acid 108.43
    diethyl ether 7.86
    m-xylene 0.69
    p-xylene 0.59
    chlorobenzene 0.81
    dimethyl carbonate 17.58
    n-octane 0.25
    formamide 168.52
    cyclopentanone 64.51
    2-pentanone 14.01
    anisole 3.72
    cyclopentyl methyl ether 13.65
    gamma-butyrolactone 65.32
    1-methoxy-2-propanol 90.7
    pyridine 10.33
    3-pentanone 7.61
    furfural 28.45
    n-dodecane 0.21
    diethylene glycol 67.36
    diisopropyl ether 1.26
    tert-amyl alcohol 15.48
    acetylacetone 30.48
    n-hexadecane 0.23
    acetophenone 4.88
    methyl propionate 14.43
    isopentyl acetate 2.37
    trichloroethylene 9.36
    n-nonanol 5.62
    cyclohexanol 8.84
    benzyl alcohol 6.47
    2-ethylhexanol 2.24
    isooctanol 4.61
    dipropyl ether 3.81
    1,2-dichlorobenzene 1.15
    ethyl lactate 9.38
    propylene carbonate 11.91
    n-methylformamide 76.31
    2-pentanol 6.06
    n-pentane 0.16
    1-propoxy-2-propanol 19.46
    1-methoxy-2-propyl acetate 10.99
    2-(2-methoxypropoxy) propanol 19.65
    mesitylene 0.54
    ε-caprolactone 15.23
    p-cymene 0.75
    epichlorohydrin 52.96
    1,1,1-trichloroethane 2.27
    2-aminoethanol 73.9
    morpholine-4-carbaldehyde 62.97
    sulfolane 133.33
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 23.66
    n-hexyl acetate 5.77
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 29.59
    sec-butyl acetate 1.9
    tert-butyl acetate 8.68
    decalin 0.15
    glycerin 112.34
    diglyme 52.62
    acrylic acid 26.14
    isopropyl myristate 2.48
    n-butyric acid 16.96
    acetyl acetate 6.99
    di(2-ethylhexyl) phthalate 3.69
    ethyl propionate 3.92
    nitromethane 135.54
    1,2-diethoxyethane 10.44
    benzonitrile 2.4
    trioctyl phosphate 3.47
    1-bromopropane 1.7
    gamma-valerolactone 76.33
    n-decanol 3.94
    triethyl phosphate 3.3
    4-methyl-2-pentanol 3.34
    propionitrile 5.68
    vinylene carbonate 10.02
    1,1,2-trichlorotrifluoroethane 62.37
    DMS 7.53
    cumene 0.49
    2-octanol 3.84
    2-hexanone 4.4
    octyl acetate 3.82
    limonene 1.27
    1,2-dimethoxyethane 61.92
    ethyl orthosilicate 3.09
    tributyl phosphate 3.2
    diacetone alcohol 28.16
    N,N-dimethylaniline 3.38
    acrylonitrile 9.38
    aniline 3.82
    1,3-propanediol 78.35
    bromobenzene 0.56
    dibromomethane 2.22
    1,1,2,2-tetrachloroethane 9.25
    2-methyl-cyclohexyl acetate 3.2
    tetrabutyl urea 5.65
    diisobutyl methanol 1.98
    2-phenylethanol 5.37
    styrene 0.59
    dioctyl adipate 5.21
    dimethyl sulfate 44.36
    ethyl butyrate 2.61
    methyl lactate 31.1
    butyl lactate 8.25
    diethyl carbonate 2.37
    propanediol butyl ether 23.91
    triethyl orthoformate 3.59
    p-tert-butyltoluene 0.82
    methyl 4-tert-butylbenzoate 11.56
    morpholine 65.04
    tert-butylamine 5.14
    n-dodecanol 2.7
    dimethoxymethane 107.87
    ethylene carbonate 8.26
    cyrene 25.87
    2-ethoxyethyl acetate 10.47
    2-ethylhexyl acetate 1.48
    1,2,4-trichlorobenzene 1.95
    4-methylpyridine 4.89
    dibutyl ether 3.0
    2,6-dimethyl-4-heptanol 1.98
    DEF 19.72
    dimethyl isosorbide 28.09
    tetrachloroethylene 6.2
    eugenol 12.41
    triacetin 10.86
    span 80 15.37
    1,4-butanediol 23.75
    1,1-dichloroethane 2.31
    2-methyl-1-pentanol 4.38
    methyl formate 54.36
    2-methyl-1-butanol 6.71
    n-decane 0.41
    butyronitrile 3.77
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 1.49
    1-chlorotetradecane 0.62
    n-nonane 0.34
    undecane 0.28
    tert-butylcyclohexane 0.13
    cyclooctane 0.15
    cyclopentanol 18.77
    tetrahydropyran 18.53
    tert-amyl methyl ether 5.81
    2,5,8-trioxanonane 41.31
    1-hexene 0.49
    2-isopropoxyethanol 27.74
    2,2,2-trifluoroethanol 33.27
    methyl butyrate 5.02

    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