Javoricin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    172588-18-0

    Molecular formula
    C35H64O7

    SMILES
    CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CC[C@@H](CCCCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 39.4%
    Odorless 34.59%
    Lactonic 32.73%
    Fruity 30.54%
    Fresh 29.99%
    Peach 29.66%
    Sweet 29.43%
    Fatty 29.27%
    Waxy 29.1%
    Milky 27.29%

     

    Flavor
    Odorless 30.06%
    Mild 30.03%
    Bland 29.51%
    Fatty 29.2%
    Waxy 25.1%
    Oily 23.22%
    Herbal 22.81%
    Bitter 21.9%
    Sweet-like 21.27%
    Slightly waxy 21.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    8.45 (weak base)

    Molecular weight
    596.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1773°C

    Flash point

    • 248.07 ˚C est.

  • Synonyms

    • Javoricin
    • (2S)-2-methyl-4-((2R,10R,13R)-2,10,13-trihydroxy-13-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)tridecyl)-2H-furan-5-one
    • (2S)-2-methyl-4-[(2R,10R,13R)-2,10,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
    • RefChem:150428
    • 172588-18-0
    • CHEMBL451359
    • SCHEMBL31237965
    • 172588-18-0

  • Applications

    Javoricin, CAS 172588-18-0, can serve as an intermediate in organic synthesis and is commonly evaluated for use in pharmaceutical or agrochemical syntheses; may be used as a solvent or processing aid in industrial manufacturing; may function as a fragrance fixative or odorant in perfumery and flavor applications; may act as a stabilizer or plasticizer in polymer formulations; is used as an additive for coatings or inks and could be considered for cleaning product formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.07
    methanol 9.46
    isopropanol 2.2
    water 0.12
    ethyl acetate 11.96
    n-propanol 5.38
    acetone 12.46
    n-butanol 4.88
    acetonitrile 3.15
    DMF 31.95
    toluene 5.21
    isobutanol 3.33
    1,4-dioxane 23.41
    methyl acetate 9.47
    THF 80.44
    2-butanone 16.09
    n-pentanol 5.14
    sec-butanol 3.79
    n-hexane 0.42
    ethylene glycol 1.07
    NMP 123.41
    cyclohexane 0.8
    DMSO 45.8
    n-butyl acetate 9.78
    n-octanol 8.74
    chloroform 44.79
    n-propyl acetate 10.64
    acetic acid 23.31
    dichloromethane 41.26
    cyclohexanone 47.47
    propylene glycol 2.42
    isopropyl acetate 11.18
    DMAc 102.64
    2-ethoxyethanol 21.29
    isopentanol 4.33
    n-heptane 0.52
    ethyl formate 9.31
    1,2-dichloroethane 18.3
    n-hexanol 4.07
    2-methoxyethanol 23.07
    isobutyl acetate 7.35
    tetrachloromethane 5.93
    n-pentyl acetate 25.95
    transcutol 102.37
    n-heptanol 7.78
    ethylbenzene 4.26
    MIBK 10.5
    2-propoxyethanol 21.19
    tert-butanol 2.91
    MTBE 6.26
    2-butoxyethanol 31.13
    propionic acid 11.21
    o-xylene 5.32
    formic acid 11.66
    diethyl ether 5.13
    m-xylene 4.26
    p-xylene 4.53
    chlorobenzene 8.94
    dimethyl carbonate 11.03
    n-octane 0.4
    formamide 14.34
    cyclopentanone 61.12
    2-pentanone 14.8
    anisole 11.77
    cyclopentyl methyl ether 25.67
    gamma-butyrolactone 73.86
    1-methoxy-2-propanol 20.12
    pyridine 22.53
    3-pentanone 13.72
    furfural 54.96
    n-dodecane 0.31
    diethylene glycol 9.77
    diisopropyl ether 2.01
    tert-amyl alcohol 5.41
    acetylacetone 25.28
    n-hexadecane 0.37
    acetophenone 18.83
    methyl propionate 14.63
    isopentyl acetate 11.17
    trichloroethylene 48.08
    n-nonanol 9.56
    cyclohexanol 8.28
    benzyl alcohol 9.84
    2-ethylhexanol 3.91
    isooctanol 6.64
    dipropyl ether 6.25
    1,2-dichlorobenzene 12.7
    ethyl lactate 11.05
    propylene carbonate 34.73
    n-methylformamide 14.83
    2-pentanol 3.09
    n-pentane 0.3
    1-propoxy-2-propanol 17.29
    1-methoxy-2-propyl acetate 20.98
    2-(2-methoxypropoxy) propanol 28.48
    mesitylene 2.46
    ε-caprolactone 62.66
    p-cymene 3.03
    epichlorohydrin 68.26
    1,1,1-trichloroethane 15.88
    2-aminoethanol 3.79
    morpholine-4-carbaldehyde 81.03
    sulfolane 135.28
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 34.01
    n-hexyl acetate 28.34
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 40.92
    sec-butyl acetate 9.28
    tert-butyl acetate 16.23
    decalin 0.93
    glycerin 6.6
    diglyme 81.18
    acrylic acid 11.75
    isopropyl myristate 7.4
    n-butyric acid 21.18
    acetyl acetate 12.5
    di(2-ethylhexyl) phthalate 10.07
    ethyl propionate 11.36
    nitromethane 36.51
    1,2-diethoxyethane 20.53
    benzonitrile 8.05
    trioctyl phosphate 7.21
    1-bromopropane 6.89
    gamma-valerolactone 119.89
    n-decanol 5.29
    triethyl phosphate 9.89
    4-methyl-2-pentanol 2.56
    propionitrile 3.49
    vinylene carbonate 30.78
    1,1,2-trichlorotrifluoroethane 70.22
    DMS 14.92
    cumene 3.22
    2-octanol 5.44
    2-hexanone 12.4
    octyl acetate 11.88
    limonene 4.75
    1,2-dimethoxyethane 31.33
    ethyl orthosilicate 10.32
    tributyl phosphate 8.65
    diacetone alcohol 21.23
    N,N-dimethylaniline 10.85
    acrylonitrile 5.46
    aniline 7.59
    1,3-propanediol 6.38
    bromobenzene 9.41
    dibromomethane 18.72
    1,1,2,2-tetrachloroethane 46.23
    2-methyl-cyclohexyl acetate 14.52
    tetrabutyl urea 13.58
    diisobutyl methanol 2.45
    2-phenylethanol 8.99
    styrene 4.17
    dioctyl adipate 15.23
    dimethyl sulfate 33.37
    ethyl butyrate 10.76
    methyl lactate 15.13
    butyl lactate 25.19
    diethyl carbonate 6.66
    propanediol butyl ether 24.71
    triethyl orthoformate 13.86
    p-tert-butyltoluene 2.93
    methyl 4-tert-butylbenzoate 33.19
    morpholine 37.27
    tert-butylamine 1.55
    n-dodecanol 2.99
    dimethoxymethane 24.76
    ethylene carbonate 24.89
    cyrene 37.95
    2-ethoxyethyl acetate 41.33
    2-ethylhexyl acetate 9.81
    1,2,4-trichlorobenzene 18.57
    4-methylpyridine 17.42
    dibutyl ether 9.3
    2,6-dimethyl-4-heptanol 2.45
    DEF 26.02
    dimethyl isosorbide 56.4
    tetrachloroethylene 29.64
    eugenol 28.21
    triacetin 39.82
    span 80 25.79
    1,4-butanediol 3.17
    1,1-dichloroethane 11.03
    2-methyl-1-pentanol 5.69
    methyl formate 11.87
    2-methyl-1-butanol 5.36
    n-decane 0.8
    butyronitrile 3.99
    3,7-dimethyl-1-octanol 6.36
    1-chlorooctane 5.19
    1-chlorotetradecane 1.3
    n-nonane 0.64
    undecane 0.46
    tert-butylcyclohexane 0.64
    cyclooctane 0.48
    cyclopentanol 10.95
    tetrahydropyran 21.94
    tert-amyl methyl ether 8.73
    2,5,8-trioxanonane 47.0
    1-hexene 1.69
    2-isopropoxyethanol 14.38
    2,2,2-trifluoroethanol 14.29
    methyl butyrate 16.25

    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