Validol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    53004-93-6

    Molecular formula
    C15H28O2

    SMILES
    CCC(C)C(=O)OC1CC(CCC1C(C)C)C

  • Odor profile

    Fruity 86.68%
    Herbal 79.48%
    Floral 74.44%
    Sweet 71.05%
    Mint 67.57%
    Rose 45.92%
    Woody 44.04%
    Fresh 43.76%
    Cooling 40.9%
    Balsamic 32.73%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point est.
    109.71 ˚C

  • Synonyms

    • 2-(Isopropyl)-5-methylcyclohexyl 2-methylbutyrate
    • 53004-93-6
    • Mentyl isovalerate
    • Menthyl 3-menthylbutyrate
    • Menthyl isopentanoate
    • Menthyl isovalerianate
    • Menth-3-yl isovalerate
    • Menthyl 3-methylbutanoate
    • MENTHOL, ISOVALERATE
    • EINECS 240-460-1
    • BRN 3200250
    • (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate
    • 1-Isopropyl-4-methylcyclohex-2-yl 3-methylbutanoate
    • 5-Methyl-2-(1-methylethyl)cyclohexyl 3-methylbutanoate
    • Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
    • (1alpha,2beta,5alpha)-3-Methylbutanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
    • 2-06-00-00043 (Beilstein Handbook Reference)
    • P-Menth-3-yl isovalerate
    • EINECS 258-291-7
    • menthyl 2-methylbutyrate
    • SCHEMBL2033140
    • DTXSID50866294
    • FGHREPYEIHRUKM-UHFFFAOYSA-N
    • DB-239059
    • NS00088767
    • 5-methyl-2-(propan-2-yl)cyclohexyl 2-methylbutanoate
    • 2-ISOPROPYL-5-METHYLCYCLOHEXYL 2-METHYLBUTANOATE
    • (1 alpha,2 beta,5 alpha)-3-methylbutanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6109.5
    methanol 4649.68
    isopropanol 6280.43
    water 2.01
    ethyl acetate 6243.69
    n-propanol 5072.5
    acetone 6703.42
    n-butanol 5067.12
    acetonitrile 4657.2
    DMF 3927.27
    toluene 3017.01
    isobutanol 4628.53
    1,4-dioxane 8085.56
    methyl acetate 3913.31
    THF 9379.65
    2-butanone 5128.95
    n-pentanol 2857.18
    sec-butanol 5142.34
    n-hexane 1667.54
    ethylene glycol 251.73
    NMP 3814.14
    cyclohexane 3511.52
    DMSO 2393.62
    n-butyl acetate 6571.52
    n-octanol 1971.74
    chloroform 13218.25
    n-propyl acetate 3575.41
    acetic acid 4174.85
    dichloromethane 9793.6
    cyclohexanone 9237.43
    propylene glycol 629.09
    isopropyl acetate 4634.85
    DMAc 3014.19
    2-ethoxyethanol 2280.14
    isopentanol 4875.59
    n-heptane 753.83
    ethyl formate 3160.73
    1,2-dichloroethane 6639.69
    n-hexanol 4305.03
    2-methoxyethanol 3437.83
    isobutyl acetate 2395.7
    tetrachloromethane 2830.48
    n-pentyl acetate 3567.83
    transcutol 7458.84
    n-heptanol 1930.66
    ethylbenzene 1803.05
    MIBK 3252.47
    2-propoxyethanol 3779.85
    tert-butanol 6410.48
    MTBE 7954.44
    2-butoxyethanol 2414.3
    propionic acid 2813.07
    o-xylene 1856.16
    formic acid 775.48
    diethyl ether 7244.65
    m-xylene 1867.71
    p-xylene 2764.27
    chlorobenzene 4701.85
    dimethyl carbonate 844.25
    n-octane 353.15
    formamide 1124.67
    cyclopentanone 6377.97
    2-pentanone 4943.43
    anisole 2387.1
    cyclopentyl methyl ether 4696.17
    gamma-butyrolactone 6019.51
    1-methoxy-2-propanol 2882.33
    pyridine 6463.65
    3-pentanone 3165.03
    furfural 4269.28
    n-dodecane 231.86
    diethylene glycol 1457.94
    diisopropyl ether 2679.17
    tert-amyl alcohol 5484.59
    acetylacetone 3931.18
    n-hexadecane 280.49
    acetophenone 2026.75
    methyl propionate 2788.34
    isopentyl acetate 5849.99
    trichloroethylene 11402.14
    n-nonanol 1670.86
    cyclohexanol 5656.68
    benzyl alcohol 1737.89
    2-ethylhexanol 2568.64
    isooctanol 1692.3
    dipropyl ether 2955.04
    1,2-dichlorobenzene 3400.85
    ethyl lactate 829.14
    propylene carbonate 3818.44
    n-methylformamide 2069.13
    2-pentanol 4198.87
    n-pentane 1332.13
    1-propoxy-2-propanol 3237.29
    1-methoxy-2-propyl acetate 3110.12
    2-(2-methoxypropoxy) propanol 1574.29
    mesitylene 1407.52
    ε-caprolactone 7302.59
    p-cymene 1104.48
    epichlorohydrin 6877.72
    1,1,1-trichloroethane 8173.49
    2-aminoethanol 978.79
    morpholine-4-carbaldehyde 3730.63
    sulfolane 4252.31
    2,2,4-trimethylpentane 616.99
    2-methyltetrahydrofuran 8340.81
    n-hexyl acetate 4288.92
    isooctane 538.84
    2-(2-butoxyethoxy)ethanol 2416.26
    sec-butyl acetate 2832.1
    tert-butyl acetate 3677.74
    decalin 1026.49
    glycerin 635.04
    diglyme 4481.51
    acrylic acid 1840.62
    isopropyl myristate 1328.01
    n-butyric acid 6415.79
    acetyl acetate 3188.41
    di(2-ethylhexyl) phthalate 982.41
    ethyl propionate 2572.09
    nitromethane 4846.52
    1,2-diethoxyethane 4490.0
    benzonitrile 3372.47
    trioctyl phosphate 768.91
    1-bromopropane 5209.54
    gamma-valerolactone 7646.9
    n-decanol 1118.18
    triethyl phosphate 887.4
    4-methyl-2-pentanol 2303.16
    propionitrile 4000.09
    vinylene carbonate 3237.91
    1,1,2-trichlorotrifluoroethane 3146.89
    DMS 1897.36
    cumene 1233.54
    2-octanol 1689.26
    2-hexanone 3419.6
    octyl acetate 1691.33
    limonene 1843.41
    1,2-dimethoxyethane 4899.82
    ethyl orthosilicate 960.39
    tributyl phosphate 990.88
    diacetone alcohol 2675.29
    N,N-dimethylaniline 1424.84
    acrylonitrile 3239.92
    aniline 2903.6
    1,3-propanediol 2280.62
    bromobenzene 5241.27
    dibromomethane 7523.61
    1,1,2,2-tetrachloroethane 9499.04
    2-methyl-cyclohexyl acetate 2065.9
    tetrabutyl urea 1090.58
    diisobutyl methanol 1426.44
    2-phenylethanol 2180.85
    styrene 2180.44
    dioctyl adipate 1471.52
    dimethyl sulfate 1046.49
    ethyl butyrate 3223.08
    methyl lactate 863.58
    butyl lactate 1848.22
    diethyl carbonate 1711.99
    propanediol butyl ether 1748.42
    triethyl orthoformate 1871.25
    p-tert-butyltoluene 1057.43
    methyl 4-tert-butylbenzoate 1727.86
    morpholine 8563.03
    tert-butylamine 4817.46
    n-dodecanol 818.43
    dimethoxymethane 2502.04
    ethylene carbonate 3403.99
    cyrene 1107.05
    2-ethoxyethyl acetate 3281.26
    2-ethylhexyl acetate 4373.65
    1,2,4-trichlorobenzene 3743.5
    4-methylpyridine 6949.07
    dibutyl ether 3199.97
    2,6-dimethyl-4-heptanol 1426.44
    DEF 4288.3
    dimethyl isosorbide 2553.65
    tetrachloroethylene 6454.71
    eugenol 1474.83
    triacetin 2046.53
    span 80 1708.78
    1,4-butanediol 789.55
    1,1-dichloroethane 9084.07
    2-methyl-1-pentanol 2913.45
    methyl formate 1558.09
    2-methyl-1-butanol 4370.87
    n-decane 454.15
    butyronitrile 5883.97
    3,7-dimethyl-1-octanol 1979.04
    1-chlorooctane 1678.48
    1-chlorotetradecane 583.22
    n-nonane 478.06
    undecane 305.32
    tert-butylcyclohexane 812.26
    cyclooctane 889.04
    cyclopentanol 4351.78
    tetrahydropyran 11473.97
    tert-amyl methyl ether 4222.3
    2,5,8-trioxanonane 2286.34
    1-hexene 3571.85
    2-isopropoxyethanol 1891.54
    2,2,2-trifluoroethanol 1113.68
    methyl butyrate 3871.16

    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