Sodium hinokitiol

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  • Identifiers

    CAS number
    17387-01-8

    Molecular formula
    C10H11NaO2

    SMILES
    CC(C)C1=CC=CC(=O)C(=C1)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.2%
    Spicy 50.64%
    Woody 47.8%
    Herbal 37.6%
    Medicinal 35.02%
    Dry 31.53%
    Smoky 30.78%
    Leathery 30.28%
    Burnt 29.32%
    Animal 28.47%

     

    Flavor
    Herbal 45.58%
    Bitter 44.33%
    Spicy 41.53%
    Woody 41.47%
    Medicinal 35.74%
    Phenolic 35.39%
    Spice 30.7%
    Camphor 24.58%
    Cumin 22.45%
    Creosote 22.1%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    7.15 (neutral)

    Molecular weight
    186.18 g/mol

    Flash point

    • 90.22 ˚C est.

  • Synonyms

    • Sodium hinokitiol
    • Hinokitiol sodium
    • Hinokitiol sodium salt
    • 17387-01-8
    • UNII-5MPS47D679
    • 5MPS47D679
    • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-, sodium salt
    • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-, sodium salt (1:1)
    • DTXSID30169674
    • RefChem:183914
    • DTXCID5092165
    • SODIUM HINOKITIOL [INCI]
    • 435-050-6
    • sodium;7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-olate
    • SCHEMBL29375027
    • Q27262571
    • Sodium 7-oxo-3-(propan-2-yl)cyclohepta-1,3,5-trien-1-olate
    • 17387-01-8

  • Applications

    Sodium hinokitiol (CAS 17387-01-8) is used primarily in cosmetics and personal care as a water-soluble salt form of hinokitiol with antimicrobial and antifungal activity, serving as a preservative and helping to stabilize formulations; in household and industrial cleaning products it acts as an antimicrobial agent and a metal-chelating agent to improve formulation stability and performance; in coatings and inks it can be added as a biocidal additive to control microbial growth during storage and use; in polymers and plastics it is evaluated as a stabilizer or processing aid to mitigate metal-catalyzed degradation; and in industrial manufacturing it may function as an antimicrobial/antifungal agent and chelating agent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1086.43
    methanol 935.35
    isopropanol 730.6
    water 0.75
    ethyl acetate 2872.79
    n-propanol 961.7
    acetone 3748.2
    n-butanol 680.87
    acetonitrile 2998.69
    DMF 4587.29
    toluene 752.61
    isobutanol 622.41
    1,4-dioxane 1755.59
    methyl acetate 3152.54
    THF 3314.34
    2-butanone 3516.83
    n-pentanol 351.56
    sec-butanol 782.44
    n-hexane 33.06
    ethylene glycol 229.89
    NMP 2819.17
    cyclohexane 73.26
    DMSO 3199.56
    n-butyl acetate 840.72
    n-octanol 161.12
    chloroform 2765.65
    n-propyl acetate 794.86
    acetic acid 698.63
    dichloromethane 4294.0
    cyclohexanone 2545.73
    propylene glycol 270.88
    isopropyl acetate 929.92
    DMAc 2042.05
    2-ethoxyethanol 623.31
    isopentanol 498.94
    n-heptane 26.1
    ethyl formate 1312.09
    1,2-dichloroethane 3693.2
    n-hexanol 438.81
    2-methoxyethanol 1409.78
    isobutyl acetate 346.83
    tetrachloromethane 290.57
    n-pentyl acetate 360.8
    transcutol 1526.44
    n-heptanol 159.43
    ethylbenzene 266.38
    MIBK 704.49
    2-propoxyethanol 796.62
    tert-butanol 781.61
    MTBE 1002.31
    2-butoxyethanol 350.94
    propionic acid 1074.02
    o-xylene 326.65
    formic acid 247.91
    diethyl ether 1241.03
    m-xylene 374.65
    p-xylene 312.42
    chlorobenzene 1139.06
    dimethyl carbonate 781.63
    n-octane 15.69
    formamide 953.52
    cyclopentanone 3967.45
    2-pentanone 2070.36
    anisole 697.44
    cyclopentyl methyl ether 1140.21
    gamma-butyrolactone 4174.34
    1-methoxy-2-propanol 1016.96
    pyridine 2213.61
    3-pentanone 1677.48
    furfural 2173.62
    n-dodecane 15.22
    diethylene glycol 540.75
    diisopropyl ether 217.71
    tert-amyl alcohol 701.29
    acetylacetone 1787.44
    n-hexadecane 18.43
    acetophenone 620.27
    methyl propionate 2304.97
    isopentyl acetate 601.5
    trichloroethylene 5680.42
    n-nonanol 140.93
    cyclohexanol 602.3
    benzyl alcohol 461.68
    2-ethylhexanol 214.75
    isooctanol 132.68
    dipropyl ether 275.81
    1,2-dichlorobenzene 852.1
    ethyl lactate 261.0
    propylene carbonate 1531.76
    n-methylformamide 2393.45
    2-pentanol 462.3
    n-pentane 39.78
    1-propoxy-2-propanol 476.23
    1-methoxy-2-propyl acetate 709.82
    2-(2-methoxypropoxy) propanol 326.98
    mesitylene 187.07
    ε-caprolactone 1776.98
    p-cymene 119.7
    epichlorohydrin 4815.31
    1,1,1-trichloroethane 2338.64
    2-aminoethanol 414.04
    morpholine-4-carbaldehyde 1711.14
    sulfolane 3204.01
    2,2,4-trimethylpentane 26.59
    2-methyltetrahydrofuran 2397.5
    n-hexyl acetate 512.98
    isooctane 21.94
    2-(2-butoxyethoxy)ethanol 453.21
    sec-butyl acetate 458.42
    tert-butyl acetate 758.27
    decalin 41.93
    glycerin 289.09
    diglyme 979.73
    acrylic acid 842.21
    isopropyl myristate 159.97
    n-butyric acid 1133.5
    acetyl acetate 958.16
    di(2-ethylhexyl) phthalate 139.7
    ethyl propionate 824.42
    nitromethane 3149.3
    1,2-diethoxyethane 567.02
    benzonitrile 791.98
    trioctyl phosphate 107.42
    1-bromopropane 1445.26
    gamma-valerolactone 2922.45
    n-decanol 105.58
    triethyl phosphate 172.73
    4-methyl-2-pentanol 202.05
    propionitrile 1828.01
    vinylene carbonate 1242.93
    1,1,2-trichlorotrifluoroethane 1161.66
    DMS 623.97
    cumene 141.74
    2-octanol 122.16
    2-hexanone 750.88
    octyl acetate 217.24
    limonene 182.01
    1,2-dimethoxyethane 1104.95
    ethyl orthosilicate 149.48
    tributyl phosphate 145.11
    diacetone alcohol 805.79
    N,N-dimethylaniline 301.69
    acrylonitrile 2589.71
    aniline 787.64
    1,3-propanediol 631.09
    bromobenzene 1180.89
    dibromomethane 2369.43
    1,1,2,2-tetrachloroethane 3080.22
    2-methyl-cyclohexyl acetate 278.27
    tetrabutyl urea 182.73
    diisobutyl methanol 120.81
    2-phenylethanol 426.3
    styrene 394.23
    dioctyl adipate 234.14
    dimethyl sulfate 1084.38
    ethyl butyrate 476.43
    methyl lactate 517.97
    butyl lactate 238.07
    diethyl carbonate 306.57
    propanediol butyl ether 302.8
    triethyl orthoformate 225.16
    p-tert-butyltoluene 119.9
    methyl 4-tert-butylbenzoate 348.44
    morpholine 2229.67
    tert-butylamine 355.44
    n-dodecanol 79.33
    dimethoxymethane 1736.82
    ethylene carbonate 1051.69
    cyrene 361.58
    2-ethoxyethyl acetate 620.07
    2-ethylhexyl acetate 432.81
    1,2,4-trichlorobenzene 977.61
    4-methylpyridine 1970.71
    dibutyl ether 218.67
    2,6-dimethyl-4-heptanol 120.81
    DEF 1854.51
    dimethyl isosorbide 628.87
    tetrachloroethylene 1587.08
    eugenol 333.99
    triacetin 401.61
    span 80 245.51
    1,4-butanediol 200.2
    1,1-dichloroethane 3367.15
    2-methyl-1-pentanol 304.86
    methyl formate 1771.49
    2-methyl-1-butanol 522.79
    n-decane 23.14
    butyronitrile 1289.48
    3,7-dimethyl-1-octanol 170.26
    1-chlorooctane 140.45
    1-chlorotetradecane 54.62
    n-nonane 21.54
    undecane 18.75
    tert-butylcyclohexane 36.24
    cyclooctane 23.69
    cyclopentanol 889.04
    tetrahydropyran 1944.23
    tert-amyl methyl ether 608.58
    2,5,8-trioxanonane 576.9
    1-hexene 198.73
    2-isopropoxyethanol 436.28
    2,2,2-trifluoroethanol 336.84
    methyl butyrate 1100.8

    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