Hydratropic acid, isopropyl ester

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  • Identifiers

    CAS number
    65757-64-4

    Molecular formula
    C12H16O2

    SMILES
    CC(C)OC(=O)C(C)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 86.01%
    Sweet 77.53%
    Floral 75.08%
    Honey 57.71%
    Balsamic 48.88%
    Rose 46.9%
    Tropical 41.67%
    Green 41.28%
    Berry 40.69%
    Plum 37.65%

     

    Flavor
    Fruity 68.33%
    Floral 62.55%
    Sweet 59.62%
    Green 50.54%
    Tropical 46.45%
    Rose 41.91%
    Bitter 41.19%
    Honey 31.58%
    Waxy 30.78%
    Fruit 24.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.58 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 102.26 ˚C est.

  • Synonyms

    • 65757-64-4
    • SCHEMBL2294892
    • Hydratropic acid, isopropyl ester
    • DB-119269

  • Applications

    Hydratropic acid, isopropyl ester (65757-64-4) is primarily used as a fragrance ingredient and fixative in perfumery, providing aroma retention and compatibility with other aroma compounds. It is also employed as a fragrance component in cosmetics and personal care products. In addition, it may be evaluated for use as a flavor/fragrance additive in consumer formulations. In industrial manufacturing, it serves as an intermediate in the synthesis of other aroma chemicals. It is used as a fragrance additive in coatings, inks, and household cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 936.16
    methanol 1142.55
    isopropanol 858.56
    water 2.41
    ethyl acetate 740.03
    n-propanol 843.89
    acetone 1232.51
    n-butanol 850.73
    acetonitrile 1043.27
    DMF 1842.05
    toluene 433.5
    isobutanol 734.35
    1,4-dioxane 1519.46
    methyl acetate 709.65
    THF 1541.73
    2-butanone 851.76
    n-pentanol 580.58
    sec-butanol 756.81
    n-hexane 243.32
    ethylene glycol 157.27
    NMP 1446.92
    cyclohexane 268.69
    DMSO 1039.69
    n-butyl acetate 658.45
    n-octanol 367.87
    chloroform 3395.56
    n-propyl acetate 453.78
    acetic acid 826.61
    dichloromethane 2591.77
    cyclohexanone 1443.74
    propylene glycol 231.81
    isopropyl acetate 451.25
    DMAc 1305.88
    2-ethoxyethanol 516.04
    isopentanol 701.32
    n-heptane 79.41
    ethyl formate 531.36
    1,2-dichloroethane 1592.26
    n-hexanol 646.19
    2-methoxyethanol 881.08
    isobutyl acetate 317.7
    tetrachloromethane 349.01
    n-pentyl acetate 371.22
    transcutol 1271.29
    n-heptanol 274.18
    ethylbenzene 328.37
    MIBK 442.83
    2-propoxyethanol 738.2
    tert-butanol 946.12
    MTBE 835.61
    2-butoxyethanol 379.33
    propionic acid 645.35
    o-xylene 292.59
    formic acid 213.47
    diethyl ether 923.32
    m-xylene 302.3
    p-xylene 409.64
    chlorobenzene 744.9
    dimethyl carbonate 315.02
    n-octane 48.81
    formamide 315.58
    cyclopentanone 1418.89
    2-pentanone 760.57
    anisole 571.26
    cyclopentyl methyl ether 733.89
    gamma-butyrolactone 1472.53
    1-methoxy-2-propanol 652.14
    pyridine 1050.09
    3-pentanone 619.97
    furfural 1024.0
    n-dodecane 42.48
    diethylene glycol 490.58
    diisopropyl ether 250.12
    tert-amyl alcohol 774.13
    acetylacetone 675.26
    n-hexadecane 48.43
    acetophenone 489.8
    methyl propionate 578.22
    isopentyl acetate 539.66
    trichloroethylene 2634.58
    n-nonanol 303.36
    cyclohexanol 772.83
    benzyl alcohol 416.08
    2-ethylhexanol 357.66
    isooctanol 227.98
    dipropyl ether 392.26
    1,2-dichlorobenzene 679.7
    ethyl lactate 241.03
    propylene carbonate 828.0
    n-methylformamide 647.54
    2-pentanol 558.13
    n-pentane 150.24
    1-propoxy-2-propanol 488.84
    1-methoxy-2-propyl acetate 482.27
    2-(2-methoxypropoxy) propanol 370.0
    mesitylene 201.54
    ε-caprolactone 1022.42
    p-cymene 160.74
    epichlorohydrin 1438.04
    1,1,1-trichloroethane 1295.57
    2-aminoethanol 338.62
    morpholine-4-carbaldehyde 1104.72
    sulfolane 1436.45
    2,2,4-trimethylpentane 71.16
    2-methyltetrahydrofuran 1124.56
    n-hexyl acetate 601.9
    isooctane 50.73
    2-(2-butoxyethoxy)ethanol 491.84
    sec-butyl acetate 322.62
    tert-butyl acetate 480.8
    decalin 120.78
    glycerin 281.15
    diglyme 813.82
    acrylic acid 551.03
    isopropyl myristate 215.89
    n-butyric acid 838.91
    acetyl acetate 505.39
    di(2-ethylhexyl) phthalate 197.54
    ethyl propionate 415.65
    nitromethane 1076.94
    1,2-diethoxyethane 561.85
    benzonitrile 611.79
    trioctyl phosphate 150.81
    1-bromopropane 975.72
    gamma-valerolactone 1416.24
    n-decanol 215.49
    triethyl phosphate 200.88
    4-methyl-2-pentanol 294.79
    propionitrile 807.2
    vinylene carbonate 815.9
    1,1,2-trichlorotrifluoroethane 817.88
    DMS 436.72
    cumene 211.54
    2-octanol 229.22
    2-hexanone 551.27
    octyl acetate 291.9
    limonene 246.41
    1,2-dimethoxyethane 1010.22
    ethyl orthosilicate 193.34
    tributyl phosphate 195.18
    diacetone alcohol 479.89
    N,N-dimethylaniline 366.37
    acrylonitrile 837.63
    aniline 499.92
    1,3-propanediol 534.78
    bromobenzene 831.61
    dibromomethane 1813.15
    1,1,2,2-tetrachloroethane 2363.42
    2-methyl-cyclohexyl acetate 335.43
    tetrabutyl urea 245.07
    diisobutyl methanol 186.33
    2-phenylethanol 406.19
    styrene 410.39
    dioctyl adipate 290.38
    dimethyl sulfate 473.94
    ethyl butyrate 396.08
    methyl lactate 287.63
    butyl lactate 282.47
    diethyl carbonate 299.23
    propanediol butyl ether 388.88
    triethyl orthoformate 272.58
    p-tert-butyltoluene 157.21
    methyl 4-tert-butylbenzoate 364.77
    morpholine 1445.44
    tert-butylamine 661.62
    n-dodecanol 160.88
    dimethoxymethane 810.0
    ethylene carbonate 724.37
    cyrene 362.61
    2-ethoxyethyl acetate 412.71
    2-ethylhexyl acetate 414.21
    1,2,4-trichlorobenzene 728.75
    4-methylpyridine 1033.5
    dibutyl ether 417.22
    2,6-dimethyl-4-heptanol 186.33
    DEF 892.21
    dimethyl isosorbide 572.24
    tetrachloroethylene 1371.54
    eugenol 357.7
    triacetin 412.98
    span 80 339.16
    1,4-butanediol 246.57
    1,1-dichloroethane 1594.35
    2-methyl-1-pentanol 536.24
    methyl formate 554.33
    2-methyl-1-butanol 691.26
    n-decane 72.39
    butyronitrile 914.23
    3,7-dimethyl-1-octanol 294.27
    1-chlorooctane 280.97
    1-chlorotetradecane 108.44
    n-nonane 76.04
    undecane 53.48
    tert-butylcyclohexane 109.74
    cyclooctane 72.99
    cyclopentanol 731.29
    tetrahydropyran 1383.39
    tert-amyl methyl ether 550.2
    2,5,8-trioxanonane 567.1
    1-hexene 632.2
    2-isopropoxyethanol 404.03
    2,2,2-trifluoroethanol 295.85
    methyl butyrate 593.68

    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