Cyclohexyl isovalerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7774-44-9

    Molecular formula
    C11H20O2

    SMILES
    CC(C)CC(=O)OC1CCCCC1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 94.96%
    Apple 65.07%
    Sweet 63.99%
    Pineapple 50.3%
    Banana 46.38%
    Herbal 46.21%
    Berry 36.09%
    Apricot 33.8%
    Mint 32.12%
    Floral 31.66%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 223.00 °C. @ 760.00 mm Hg

    Flash point est.
    90.39 ˚C

    Solubility expt.

    • insoluble in water
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Cyclohexyl isovalerate
    • 7774-44-9
    • Cyclohexyl 3-methylbutanoate
    • Cyclohexyl isopentanoate
    • Isovaleric acid, cyclohexyl ester
    • Isovaleric acid cyclohexyl ester
    • Butanoic acid, 3-methyl-, cyclohexyl ester
    • FEMA No. 2355
    • Cyclohexyl isovalerianate
    • UNII-6SQ3O6ST39
    • 6SQ3O6ST39
    • Cyclohexyl iso-valerate
    • EINECS 231-874-3
    • NSC 147480
    • NSC-147480
    • AI3-38989
    • DTXSID1064796
    • CYCLOHEXYL ISOVALERATE [FHFI]
    • Isovaleric acid, cyclohexyl ester (8CI)
    • Cyclohexyl3-methylbutanoate
    • SCHEMBL872809
    • Cyclohexyl 3-methylbutanoate #
    • DTXCID6047991
    • FEMA 2355
    • CHEBI:171833
    • LMFA07010823
    • NSC147480
    • AKOS025295740
    • Butanoic acid,3-methyl-,cyclohexyl ester
    • DB-056252
    • CS-0455647
    • I0195
    • NS00012168
    • D91099
    • Q27265455
    • 231-874-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2090.21
    methanol 2059.02
    isopropanol 2260.38
    water 1.47
    ethyl acetate 1055.9
    n-propanol 1724.09
    acetone 2113.63
    n-butanol 1767.26
    acetonitrile 1304.76
    DMF 1836.46
    toluene 648.04
    isobutanol 1557.4
    1,4-dioxane 2052.53
    methyl acetate 880.81
    THF 3365.86
    2-butanone 1266.97
    n-pentanol 1100.72
    sec-butanol 1698.24
    n-hexane 556.0
    ethylene glycol 267.9
    NMP 1603.7
    cyclohexane 900.81
    DMSO 1603.74
    n-butyl acetate 1403.48
    n-octanol 778.13
    chloroform 5943.7
    n-propyl acetate 761.59
    acetic acid 2393.03
    dichloromethane 3556.28
    cyclohexanone 2683.64
    propylene glycol 601.55
    isopropyl acetate 773.01
    DMAc 1120.4
    2-ethoxyethanol 756.13
    isopentanol 1498.03
    n-heptane 264.68
    ethyl formate 887.24
    1,2-dichloroethane 1934.83
    n-hexanol 1583.31
    2-methoxyethanol 1429.91
    isobutyl acetate 601.36
    tetrachloromethane 698.87
    n-pentyl acetate 781.36
    transcutol 2570.34
    n-heptanol 642.82
    ethylbenzene 445.45
    MIBK 793.72
    2-propoxyethanol 1343.22
    tert-butanol 2296.94
    MTBE 1356.25
    2-butoxyethanol 782.44
    propionic acid 1355.18
    o-xylene 414.34
    formic acid 507.33
    diethyl ether 1114.99
    m-xylene 443.5
    p-xylene 639.34
    chlorobenzene 1350.77
    dimethyl carbonate 308.71
    n-octane 116.16
    formamide 493.73
    cyclopentanone 2356.33
    2-pentanone 1196.05
    anisole 687.32
    cyclopentyl methyl ether 1330.66
    gamma-butyrolactone 2302.33
    1-methoxy-2-propanol 1220.9
    pyridine 2148.58
    3-pentanone 745.85
    furfural 1935.8
    n-dodecane 93.37
    diethylene glycol 770.95
    diisopropyl ether 446.0
    tert-amyl alcohol 1614.31
    acetylacetone 1108.07
    n-hexadecane 108.34
    acetophenone 659.72
    methyl propionate 701.7
    isopentyl acetate 1223.45
    trichloroethylene 3988.84
    n-nonanol 647.52
    cyclohexanol 1873.76
    benzyl alcohol 672.65
    2-ethylhexanol 848.2
    isooctanol 527.08
    dipropyl ether 777.05
    1,2-dichlorobenzene 1126.18
    ethyl lactate 383.03
    propylene carbonate 1525.46
    n-methylformamide 875.83
    2-pentanol 1344.57
    n-pentane 382.8
    1-propoxy-2-propanol 1171.92
    1-methoxy-2-propyl acetate 830.81
    2-(2-methoxypropoxy) propanol 730.97
    mesitylene 336.26
    ε-caprolactone 1921.63
    p-cymene 316.18
    epichlorohydrin 2158.94
    1,1,1-trichloroethane 2230.68
    2-aminoethanol 679.8
    morpholine-4-carbaldehyde 1376.1
    sulfolane 2283.03
    2,2,4-trimethylpentane 153.78
    2-methyltetrahydrofuran 2129.89
    n-hexyl acetate 1268.8
    isooctane 139.16
    2-(2-butoxyethoxy)ethanol 1044.7
    sec-butyl acetate 553.87
    tert-butyl acetate 800.46
    decalin 271.9
    glycerin 620.39
    diglyme 1517.14
    acrylic acid 1100.8
    isopropyl myristate 471.79
    n-butyric acid 2358.52
    acetyl acetate 769.94
    di(2-ethylhexyl) phthalate 407.68
    ethyl propionate 582.53
    nitromethane 1890.55
    1,2-diethoxyethane 885.04
    benzonitrile 1205.31
    trioctyl phosphate 317.46
    1-bromopropane 1501.7
    gamma-valerolactone 2421.91
    n-decanol 462.41
    triethyl phosphate 327.31
    4-methyl-2-pentanol 663.92
    propionitrile 1184.7
    vinylene carbonate 1363.97
    1,1,2-trichlorotrifluoroethane 1648.69
    DMS 617.81
    cumene 333.63
    2-octanol 534.35
    2-hexanone 938.11
    octyl acetate 607.5
    limonene 519.51
    1,2-dimethoxyethane 1461.17
    ethyl orthosilicate 321.63
    tributyl phosphate 403.43
    diacetone alcohol 891.18
    N,N-dimethylaniline 486.9
    acrylonitrile 1179.08
    aniline 915.11
    1,3-propanediol 1116.98
    bromobenzene 1459.49
    dibromomethane 2836.63
    1,1,2,2-tetrachloroethane 3585.88
    2-methyl-cyclohexyl acetate 650.28
    tetrabutyl urea 482.06
    diisobutyl methanol 488.18
    2-phenylethanol 771.7
    styrene 575.73
    dioctyl adipate 621.39
    dimethyl sulfate 451.41
    ethyl butyrate 738.08
    methyl lactate 466.26
    butyl lactate 670.72
    diethyl carbonate 507.48
    propanediol butyl ether 927.98
    triethyl orthoformate 528.34
    p-tert-butyltoluene 303.67
    methyl 4-tert-butylbenzoate 652.72
    morpholine 2300.06
    tert-butylamine 1560.67
    n-dodecanol 351.51
    dimethoxymethane 845.47
    ethylene carbonate 1229.24
    cyrene 534.59
    2-ethoxyethyl acetate 725.35
    2-ethylhexyl acetate 891.53
    1,2,4-trichlorobenzene 1276.81
    4-methylpyridine 1856.75
    dibutyl ether 874.76
    2,6-dimethyl-4-heptanol 488.18
    DEF 1051.11
    dimethyl isosorbide 1031.98
    tetrachloroethylene 2186.3
    eugenol 634.35
    triacetin 793.73
    span 80 871.84
    1,4-butanediol 445.46
    1,1-dichloroethane 2582.12
    2-methyl-1-pentanol 934.17
    methyl formate 675.15
    2-methyl-1-butanol 1303.7
    n-decane 169.03
    butyronitrile 1701.2
    3,7-dimethyl-1-octanol 748.27
    1-chlorooctane 569.28
    1-chlorotetradecane 227.91
    n-nonane 176.2
    undecane 121.65
    tert-butylcyclohexane 229.81
    cyclooctane 216.17
    cyclopentanol 1846.85
    tetrahydropyran 2629.97
    tert-amyl methyl ether 800.06
    2,5,8-trioxanonane 1057.56
    1-hexene 1169.35
    2-isopropoxyethanol 592.4
    2,2,2-trifluoroethanol 586.3
    methyl butyrate 952.73

    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