S-Coolact 20

Overview IFRA Request a quote

  • Identifiers

    CAS number
    115869-76-6

    Molecular formula
    C14H26O3

    SMILES
    C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@H](C)O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 64.46%
    Cooling 50.25%
    Herbal 45.13%
    Fruity 41.39%
    Odorless 38.95%
    Floral 37.83%
    Fresh 36.25%
    Sweet 30.19%
    Woody 25.77%
    Balsamic 25.56%

     

    Flavor
    Fruity 65.31%
    Tropical 40.36%
    Herbal 34.76%
    Minty 30.92%
    Sweet 30.74%
    Fruit 26.99%
    Berry 26.11%
    Green 25.22%
    Mild 24.62%
    Woody 23.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.78 (neutral)

    Molecular weight
    242.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 125.48 ˚C est.

  • Synonyms

    • S-Coolact 20
    • SCHEMBL12994246
    • XSJPRWBZLUYOOI-MROQNXINSA-N
    • DTXSID101020440
    • (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (3S)-3-hydroxybutanoate
    • 115869-76-6
    • 115869-76-6

  • Applications

    S-Coolact 20 (CAS 115869-76-6) may be used as a solvent or co-solvent in industrial formulations; as a processing aid in polymer, coating, and ink systems; as a plasticizer or viscosity-modifying component in polymer formulations; as an intermediate in organic synthesis routes; as a solvent or carrier for active ingredients and fragrance components in cosmetics and personal care; and as a cleaning solvent in household products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1254.24
    methanol 1555.42
    isopropanol 1355.23
    water 2.34
    ethyl acetate 466.86
    n-propanol 889.91
    acetone 880.47
    n-butanol 771.49
    acetonitrile 387.22
    DMF 796.48
    toluene 199.24
    isobutanol 698.02
    1,4-dioxane 1381.49
    methyl acetate 373.76
    THF 2270.87
    2-butanone 488.08
    n-pentanol 438.08
    sec-butanol 729.96
    n-hexane 65.68
    ethylene glycol 201.29
    NMP 847.48
    cyclohexane 151.53
    DMSO 1050.09
    n-butyl acetate 461.88
    n-octanol 274.55
    chloroform 1432.65
    n-propyl acetate 305.76
    acetic acid 1098.65
    dichloromethane 909.25
    cyclohexanone 1113.04
    propylene glycol 514.66
    isopropyl acetate 363.69
    DMAc 568.06
    2-ethoxyethanol 439.14
    isopentanol 691.83
    n-heptane 36.8
    ethyl formate 348.4
    1,2-dichloroethane 597.63
    n-hexanol 647.86
    2-methoxyethanol 958.36
    isobutyl acetate 248.08
    tetrachloromethane 185.66
    n-pentyl acetate 302.02
    transcutol 1695.88
    n-heptanol 255.24
    ethylbenzene 119.41
    MIBK 340.6
    2-propoxyethanol 795.02
    tert-butanol 1374.12
    MTBE 574.5
    2-butoxyethanol 417.22
    propionic acid 672.1
    o-xylene 157.37
    formic acid 318.56
    diethyl ether 431.85
    m-xylene 180.95
    p-xylene 184.67
    chlorobenzene 372.86
    dimethyl carbonate 133.0
    n-octane 16.33
    formamide 288.6
    cyclopentanone 1165.35
    2-pentanone 444.08
    anisole 238.78
    cyclopentyl methyl ether 669.15
    gamma-butyrolactone 1256.92
    1-methoxy-2-propanol 815.75
    pyridine 589.29
    3-pentanone 256.24
    furfural 838.25
    n-dodecane 14.65
    diethylene glycol 543.61
    diisopropyl ether 158.5
    tert-amyl alcohol 753.74
    acetylacetone 535.0
    n-hexadecane 17.3
    acetophenone 246.19
    methyl propionate 313.15
    isopentyl acetate 426.12
    trichloroethylene 1153.3
    n-nonanol 224.76
    cyclohexanol 896.97
    benzyl alcohol 282.94
    2-ethylhexanol 294.98
    isooctanol 204.79
    dipropyl ether 240.88
    1,2-dichlorobenzene 318.86
    ethyl lactate 173.79
    propylene carbonate 676.06
    n-methylformamide 411.7
    2-pentanol 528.87
    n-pentane 56.96
    1-propoxy-2-propanol 606.63
    1-methoxy-2-propyl acetate 431.12
    2-(2-methoxypropoxy) propanol 374.41
    mesitylene 137.85
    ε-caprolactone 898.07
    p-cymene 100.18
    epichlorohydrin 1127.16
    1,1,1-trichloroethane 619.79
    2-aminoethanol 470.47
    morpholine-4-carbaldehyde 819.69
    sulfolane 1233.29
    2,2,4-trimethylpentane 39.32
    2-methyltetrahydrofuran 1252.52
    n-hexyl acetate 477.98
    isooctane 33.72
    2-(2-butoxyethoxy)ethanol 598.66
    sec-butyl acetate 217.21
    tert-butyl acetate 408.93
    decalin 52.79
    glycerin 509.28
    diglyme 854.66
    acrylic acid 462.34
    isopropyl myristate 160.65
    n-butyric acid 994.89
    acetyl acetate 340.24
    di(2-ethylhexyl) phthalate 180.24
    ethyl propionate 220.76
    nitromethane 882.56
    1,2-diethoxyethane 419.41
    benzonitrile 328.05
    trioctyl phosphate 141.55
    1-bromopropane 339.62
    gamma-valerolactone 1379.1
    n-decanol 160.7
    triethyl phosphate 127.35
    4-methyl-2-pentanol 308.99
    propionitrile 321.77
    vinylene carbonate 513.84
    1,1,2-trichlorotrifluoroethane 778.26
    DMS 269.4
    cumene 101.63
    2-octanol 188.22
    2-hexanone 327.75
    octyl acetate 218.49
    limonene 166.27
    1,2-dimethoxyethane 694.73
    ethyl orthosilicate 133.04
    tributyl phosphate 169.69
    diacetone alcohol 548.31
    N,N-dimethylaniline 172.93
    acrylonitrile 316.83
    aniline 372.41
    1,3-propanediol 715.83
    bromobenzene 344.46
    dibromomethane 642.18
    1,1,2,2-tetrachloroethane 1108.25
    2-methyl-cyclohexyl acetate 265.54
    tetrabutyl urea 196.11
    diisobutyl methanol 167.76
    2-phenylethanol 345.88
    styrene 136.56
    dioctyl adipate 240.21
    dimethyl sulfate 226.29
    ethyl butyrate 246.46
    methyl lactate 252.61
    butyl lactate 306.38
    diethyl carbonate 158.91
    propanediol butyl ether 529.73
    triethyl orthoformate 190.48
    p-tert-butyltoluene 102.97
    methyl 4-tert-butylbenzoate 299.7
    morpholine 1560.77
    tert-butylamine 732.24
    n-dodecanol 120.03
    dimethoxymethane 460.02
    ethylene carbonate 487.24
    cyrene 336.0
    2-ethoxyethyl acetate 377.3
    2-ethylhexyl acetate 321.08
    1,2,4-trichlorobenzene 411.77
    4-methylpyridine 592.76
    dibutyl ether 228.9
    2,6-dimethyl-4-heptanol 167.76
    DEF 391.65
    dimethyl isosorbide 605.63
    tetrachloroethylene 683.94
    eugenol 286.21
    triacetin 360.2
    span 80 432.47
    1,4-butanediol 247.11
    1,1-dichloroethane 696.07
    2-methyl-1-pentanol 380.68
    methyl formate 329.18
    2-methyl-1-butanol 531.91
    n-decane 26.44
    butyronitrile 460.63
    3,7-dimethyl-1-octanol 251.72
    1-chlorooctane 136.66
    1-chlorotetradecane 51.05
    n-nonane 25.92
    undecane 18.68
    tert-butylcyclohexane 51.04
    cyclooctane 40.13
    cyclopentanol 962.73
    tetrahydropyran 1390.93
    tert-amyl methyl ether 329.19
    2,5,8-trioxanonane 553.83
    1-hexene 193.05
    2-isopropoxyethanol 341.08
    2,2,2-trifluoroethanol 319.7
    methyl butyrate 320.79

    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