3-Cyclohexylpropyl butyrate

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  • Identifiers

    CAS number
    94200-13-2

    Molecular formula
    C13H24O2

    SMILES
    CCCC(=O)OCCCC1CCCCC1

  • Odor profile

    Fruity 80.16%
    Green 57.72%
    Sweet 50.48%
    Pineapple 47.15%
    Waxy 40.57%
    Apple 38.35%
    Fresh 34.65%
    Peach 34.38%
    Fatty 30.35%
    Apricot 30.22%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point est.
    119.31 ˚C

  • Synonyms

    • 3-Cyclohexylpropyl butyrate
    • 94200-13-2
    • EINECS 303-490-7
    • 3-cyclohexylpropyl butanoate
    • BUTANOIC ACID,3-CYCLOHEXYLPROPYL ESTER
    • T6VTX4RZT7
    • DTXSID10240975
    • VHCFMFPGCLEABB-UHFFFAOYSA-N
    • Butanoic acid, 3-cyclohexylpropyl ester
    • NS00040235

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4621.5
    methanol 4584.34
    isopropanol 4552.0
    water 0.06
    ethyl acetate 6526.71
    n-propanol 3838.42
    acetone 10846.97
    n-butanol 3585.44
    acetonitrile 5779.7
    DMF 5433.84
    toluene 2202.22
    isobutanol 3041.82
    1,4-dioxane 5384.83
    methyl acetate 3994.11
    THF 8067.53
    2-butanone 6520.59
    n-pentanol 1998.48
    sec-butanol 3288.4
    n-hexane 710.4
    ethylene glycol 217.7
    NMP 3451.88
    cyclohexane 1151.97
    DMSO 7038.88
    n-butyl acetate 4214.21
    n-octanol 733.25
    chloroform 11002.74
    n-propyl acetate 3754.2
    acetic acid 2590.91
    dichloromethane 10639.83
    cyclohexanone 8513.53
    propylene glycol 533.48
    isopropyl acetate 3991.65
    DMAc 2784.83
    2-ethoxyethanol 2244.28
    isopentanol 3191.46
    n-heptane 223.62
    ethyl formate 2740.14
    1,2-dichloroethane 7924.58
    n-hexanol 1845.99
    2-methoxyethanol 3901.15
    isobutyl acetate 2012.94
    tetrachloromethane 1431.2
    n-pentyl acetate 2224.43
    transcutol 9057.21
    n-heptanol 687.8
    ethylbenzene 975.25
    MIBK 2982.93
    2-propoxyethanol 2643.93
    tert-butanol 4471.72
    MTBE 5548.29
    2-butoxyethanol 1463.38
    propionic acid 2314.74
    o-xylene 1066.71
    formic acid 443.22
    diethyl ether 6687.32
    m-xylene 1238.22
    p-xylene 1212.37
    chlorobenzene 3320.92
    dimethyl carbonate 857.59
    n-octane 86.86
    formamide 976.36
    cyclopentanone 7157.61
    2-pentanone 6320.87
    anisole 1830.17
    cyclopentyl methyl ether 4577.79
    gamma-butyrolactone 6465.35
    1-methoxy-2-propanol 3259.92
    pyridine 5651.61
    3-pentanone 3404.21
    furfural 4197.29
    n-dodecane 57.41
    diethylene glycol 1242.68
    diisopropyl ether 1512.13
    tert-amyl alcohol 3182.91
    acetylacetone 4658.93
    n-hexadecane 71.62
    acetophenone 1542.09
    methyl propionate 3364.49
    isopentyl acetate 3236.17
    trichloroethylene 11532.91
    n-nonanol 606.23
    cyclohexanol 3503.31
    benzyl alcohol 1266.35
    2-ethylhexanol 1147.45
    isooctanol 642.14
    dipropyl ether 1932.23
    1,2-dichlorobenzene 2689.18
    ethyl lactate 800.11
    propylene carbonate 3002.44
    n-methylformamide 2690.76
    2-pentanol 2625.24
    n-pentane 480.68
    1-propoxy-2-propanol 2273.74
    1-methoxy-2-propyl acetate 2711.54
    2-(2-methoxypropoxy) propanol 1231.92
    mesitylene 798.22
    ε-caprolactone 5511.54
    p-cymene 486.26
    epichlorohydrin 7416.62
    1,1,1-trichloroethane 6855.12
    2-aminoethanol 859.71
    morpholine-4-carbaldehyde 3326.83
    sulfolane 6387.24
    2,2,4-trimethylpentane 186.81
    2-methyltetrahydrofuran 6933.06
    n-hexyl acetate 2498.84
    isooctane 169.78
    2-(2-butoxyethoxy)ethanol 1956.71
    sec-butyl acetate 2381.17
    tert-butyl acetate 3475.53
    decalin 350.7
    glycerin 620.76
    diglyme 3841.56
    acrylic acid 1428.01
    isopropyl myristate 740.15
    n-butyric acid 4825.53
    acetyl acetate 2701.54
    di(2-ethylhexyl) phthalate 550.85
    ethyl propionate 2782.7
    nitromethane 5395.59
    1,2-diethoxyethane 4000.85
    benzonitrile 2406.95
    trioctyl phosphate 410.72
    1-bromopropane 5233.81
    gamma-valerolactone 7199.18
    n-decanol 404.1
    triethyl phosphate 633.71
    4-methyl-2-pentanol 1198.23
    propionitrile 4137.4
    vinylene carbonate 2552.68
    1,1,2-trichlorotrifluoroethane 3311.53
    DMS 1498.29
    cumene 564.8
    2-octanol 590.42
    2-hexanone 3555.3
    octyl acetate 890.94
    limonene 883.36
    1,2-dimethoxyethane 4616.24
    ethyl orthosilicate 626.6
    tributyl phosphate 622.97
    diacetone alcohol 2596.27
    N,N-dimethylaniline 935.26
    acrylonitrile 3911.98
    aniline 2438.97
    1,3-propanediol 1765.89
    bromobenzene 3936.29
    dibromomethane 7761.69
    1,1,2,2-tetrachloroethane 9004.9
    2-methyl-cyclohexyl acetate 1292.53
    tetrabutyl urea 728.07
    diisobutyl methanol 649.75
    2-phenylethanol 1209.24
    styrene 1485.53
    dioctyl adipate 1020.7
    dimethyl sulfate 1261.33
    ethyl butyrate 2299.09
    methyl lactate 951.82
    butyl lactate 1256.22
    diethyl carbonate 1218.45
    propanediol butyl ether 1231.84
    triethyl orthoformate 1236.18
    p-tert-butyltoluene 463.49
    methyl 4-tert-butylbenzoate 1113.07
    morpholine 7387.55
    tert-butylamine 2770.02
    n-dodecanol 293.68
    dimethoxymethane 3245.39
    ethylene carbonate 2495.34
    cyrene 858.72
    2-ethoxyethyl acetate 2533.85
    2-ethylhexyl acetate 2283.05
    1,2,4-trichlorobenzene 2835.25
    4-methylpyridine 5387.47
    dibutyl ether 1989.25
    2,6-dimethyl-4-heptanol 649.75
    DEF 4708.31
    dimethyl isosorbide 1997.72
    tetrachloroethylene 5323.87
    eugenol 999.89
    triacetin 1673.03
    span 80 1171.94
    1,4-butanediol 580.61
    1,1-dichloroethane 8870.11
    2-methyl-1-pentanol 1743.18
    methyl formate 1637.26
    2-methyl-1-butanol 2741.45
    n-decane 119.0
    butyronitrile 4873.56
    3,7-dimethyl-1-octanol 870.15
    1-chlorooctane 724.86
    1-chlorotetradecane 223.76
    n-nonane 123.7
    undecane 78.54
    tert-butylcyclohexane 287.66
    cyclooctane 265.3
    cyclopentanol 3320.15
    tetrahydropyran 8812.29
    tert-amyl methyl ether 2819.5
    2,5,8-trioxanonane 2042.79
    1-hexene 2655.48
    2-isopropoxyethanol 1701.13
    2,2,2-trifluoroethanol 664.55
    methyl butyrate 4129.8

    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