Juanislamin

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  • Identifiers

    CAS number
    75628-10-3

    Molecular formula
    C23H28O8

    SMILES
    C[C@@H]/1C[C@@H]2[C@@H]([C@@H]([C@H]([C@@](C(=O)/C=C1)(C)O)OC(=O)C(=C)C)OC(=O)C(=C)C)C(=C)C(=O)O2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 50.46%
    Caramellic 49.23%
    Burnt 35.06%
    Odorless 35.03%
    Mint 27.61%
    Nutty 25.61%
    Roasted 22.49%
    Buttery 21.13%
    Spicy 19.87%
    Tobacco 19.8%

     

    Flavor
    Bitter 72.81%
    Odorless 24.3%
    Very mild 21.48%
    Fenugreek 19.91%
    Seedy 19.84%
    Cedarleaf 19.81%
    Cotton candy 19.68%
    Extremely sweet 19.6%
    Sweet-like 19.51%
    Lovage 19.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    4.56 (weak acid)

    Molecular weight
    432.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    497°C

    Flash point

    • 189.11 ˚C est.

  • Synonyms

    • Juanislamin
    • 75628-10-3
    • 2-Propenoic acid, 2-methyl-, (3aS,4S,5R,6R,8Z,10R,11aR)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca(b)furan-4,5-diyl ester
    • [(3aS,4S,5R,6R,8Z,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-5-(2-methylprop-2-enoyloxy)-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
    • ((3aS,4S,5R,6R,8Z,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-5-(2-methylprop-2-enoyloxy)-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca(b)furan-4-yl) 2-methylprop-2-enoate
    • (3AR,4S,5S,6R,10R,11ar)-6-hydroxy-6,10-dimethyl-3-methylidene-5-((2-methylprop-2-enoyl)oxy)-2,7-dioxo-2H,3H,3ah,4H,5H,6H,7H,10H,11H,11ah-cyclodeca(b)furan-4-yl 2-methylprop-2-enoic acid
    • (3AR,4S,5S,6R,10R,11ar)-6-hydroxy-6,10-dimethyl-3-methylidene-5-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-2H,3H,3ah,4H,5H,6H,7H,10H,11H,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoic acid
    • RefChem:150591
    • Caleurticolide 2-methylacrylate
    • MEGxp0_001005
    • ACon1_000782
    • 71652-12-5
    • NCGC00169364-01
    • 75628-10-3

  • Applications

    Juanislamin (CAS 75628-10-3) is primarily used as an intermediate in organic synthesis, serving as a precursor for specialty chemicals and pharmaceutical intermediates; it may also function as a solvent or co-solvent in selected formulations. In industrial manufacturing, it can act as a stabilizer or a crosslinking agent in polymers and coatings, and as an additive to adjust viscosity or solubility in coatings and inks. In cleaning and household formulations, it may be employed for its solvent properties; in cosmetics and perfumery, it can be evaluated as an odorant or fixative within fragrance matrices, subject to regulatory constraints. It may also be used or evaluated as a chelating agent or surfactant in specialized formulations, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 633.87
    methanol 891.44
    isopropanol 410.97
    water 1.42
    ethyl acetate 617.19
    n-propanol 530.23
    acetone 925.48
    n-butanol 415.59
    acetonitrile 330.92
    DMF 1978.28
    toluene 244.83
    isobutanol 349.42
    1,4-dioxane 911.28
    methyl acetate 623.25
    THF 1909.43
    2-butanone 715.84
    n-pentanol 367.33
    sec-butanol 462.3
    n-hexane 13.59
    ethylene glycol 106.26
    NMP 1732.21
    cyclohexane 17.63
    DMSO 1552.47
    n-butyl acetate 254.71
    n-octanol 129.68
    chloroform 633.79
    n-propyl acetate 329.88
    acetic acid 1767.68
    dichloromethane 603.84
    cyclohexanone 912.44
    propylene glycol 183.1
    isopropyl acetate 427.2
    DMAc 1943.73
    2-ethoxyethanol 829.91
    isopentanol 320.45
    n-heptane 8.31
    ethyl formate 408.0
    1,2-dichloroethane 446.87
    n-hexanol 255.61
    2-methoxyethanol 1218.21
    isobutyl acetate 193.92
    tetrachloromethane 87.53
    n-pentyl acetate 235.39
    transcutol 1003.1
    n-heptanol 157.89
    ethylbenzene 127.9
    MIBK 345.74
    2-propoxyethanol 674.33
    tert-butanol 365.55
    MTBE 293.48
    2-butoxyethanol 403.73
    propionic acid 615.15
    o-xylene 143.86
    formic acid 796.69
    diethyl ether 403.02
    m-xylene 138.32
    p-xylene 136.31
    chlorobenzene 230.83
    dimethyl carbonate 547.34
    n-octane 6.14
    formamide 1045.48
    cyclopentanone 1152.48
    2-pentanone 615.23
    anisole 310.21
    cyclopentyl methyl ether 610.81
    gamma-butyrolactone 1396.77
    1-methoxy-2-propanol 909.45
    pyridine 760.46
    3-pentanone 424.97
    furfural 928.62
    n-dodecane 5.41
    diethylene glycol 464.21
    diisopropyl ether 90.25
    tert-amyl alcohol 416.96
    acetylacetone 803.43
    n-hexadecane 6.28
    acetophenone 385.27
    methyl propionate 650.28
    isopentyl acetate 229.83
    trichloroethylene 919.8
    n-nonanol 125.44
    cyclohexanol 377.08
    benzyl alcohol 381.74
    2-ethylhexanol 122.68
    isooctanol 125.11
    dipropyl ether 139.6
    1,2-dichlorobenzene 208.36
    ethyl lactate 235.45
    propylene carbonate 724.65
    n-methylformamide 990.33
    2-pentanol 307.85
    n-pentane 14.04
    1-propoxy-2-propanol 360.41
    1-methoxy-2-propyl acetate 396.38
    2-(2-methoxypropoxy) propanol 306.42
    mesitylene 65.54
    ε-caprolactone 899.13
    p-cymene 52.72
    epichlorohydrin 1341.25
    1,1,1-trichloroethane 398.95
    2-aminoethanol 294.82
    morpholine-4-carbaldehyde 1776.08
    sulfolane 1537.67
    2,2,4-trimethylpentane 11.39
    2-methyltetrahydrofuran 996.53
    n-hexyl acetate 300.12
    isooctane 5.96
    2-(2-butoxyethoxy)ethanol 454.56
    sec-butyl acetate 231.44
    tert-butyl acetate 362.53
    decalin 16.05
    glycerin 291.03
    diglyme 783.48
    acrylic acid 627.39
    isopropyl myristate 96.13
    n-butyric acid 760.59
    acetyl acetate 468.75
    di(2-ethylhexyl) phthalate 129.92
    ethyl propionate 306.1
    nitromethane 1804.26
    1,2-diethoxyethane 296.03
    benzonitrile 265.1
    trioctyl phosphate 89.9
    1-bromopropane 243.14
    gamma-valerolactone 1856.43
    n-decanol 85.71
    triethyl phosphate 109.03
    4-methyl-2-pentanol 152.13
    propionitrile 269.49
    vinylene carbonate 652.68
    1,1,2-trichlorotrifluoroethane 945.22
    DMS 310.25
    cumene 75.64
    2-octanol 105.64
    2-hexanone 359.32
    octyl acetate 150.27
    limonene 79.24
    1,2-dimethoxyethane 847.21
    ethyl orthosilicate 104.56
    tributyl phosphate 102.34
    diacetone alcohol 515.87
    N,N-dimethylaniline 240.26
    acrylonitrile 381.54
    aniline 377.17
    1,3-propanediol 458.79
    bromobenzene 211.85
    dibromomethane 368.55
    1,1,2,2-tetrachloroethane 656.19
    2-methyl-cyclohexyl acetate 178.25
    tetrabutyl urea 150.25
    diisobutyl methanol 61.33
    2-phenylethanol 287.17
    styrene 148.76
    dioctyl adipate 168.43
    dimethyl sulfate 792.93
    ethyl butyrate 189.96
    methyl lactate 468.0
    butyl lactate 202.74
    diethyl carbonate 129.66
    propanediol butyl ether 317.64
    triethyl orthoformate 134.72
    p-tert-butyltoluene 53.32
    methyl 4-tert-butylbenzoate 279.14
    morpholine 1323.71
    tert-butylamine 142.59
    n-dodecanol 58.36
    dimethoxymethane 1223.08
    ethylene carbonate 559.9
    cyrene 438.89
    2-ethoxyethyl acetate 389.24
    2-ethylhexyl acetate 174.36
    1,2,4-trichlorobenzene 304.98
    4-methylpyridine 734.47
    dibutyl ether 114.02
    2,6-dimethyl-4-heptanol 61.33
    DEF 808.25
    dimethyl isosorbide 489.56
    tetrachloroethylene 411.33
    eugenol 262.87
    triacetin 333.38
    span 80 272.22
    1,4-butanediol 223.26
    1,1-dichloroethane 425.55
    2-methyl-1-pentanol 311.71
    methyl formate 784.61
    2-methyl-1-butanol 359.11
    n-decane 10.22
    butyronitrile 258.65
    3,7-dimethyl-1-octanol 113.79
    1-chlorooctane 57.04
    1-chlorotetradecane 20.69
    n-nonane 8.44
    undecane 7.1
    tert-butylcyclohexane 12.83
    cyclooctane 6.88
    cyclopentanol 532.51
    tetrahydropyran 772.1
    tert-amyl methyl ether 286.86
    2,5,8-trioxanonane 496.38
    1-hexene 78.54
    2-isopropoxyethanol 481.52
    2,2,2-trifluoroethanol 548.32
    methyl butyrate 387.46

    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