Isopropyl cyclohexylpropionate

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  • Identifiers

    CAS number
    63449-95-6

    Molecular formula
    C12H22O2

    SMILES
    CCC(=O)OC1CCC(CC1)C(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 91.75%
    Sweet 64.18%
    Herbal 62.41%
    Floral 59.2%
    Woody 56.72%
    Mint 47.68%
    Fresh 46.31%
    Rose 37.43%
    Green 36.84%
    Apple 34.85%

     

    Flavor
    Fruity 61.56%
    Herbal 46.16%
    Tropical 43.54%
    Green 42.27%
    Fruit 40.02%
    Sweet 38.04%
    Minty 33.2%
    Floral 32.03%
    Herb 32.0%
    Rose 30.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.79 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 99.32 ˚C est.

  • Synonyms

    • 4-(Isopropyl)cyclohexyl propionate
    • 63449-95-6
    • (4-propan-2-ylcyclohexyl) propanoate
    • isopropyl cyclohexylpropionate
    • Cyclohexanol, 4-(1-methylethyl)-, propanoate
    • L13P6FT34Z
    • EINECS 264-165-2
    • NSC-29911
    • NSC-53047
    • Cyclohexanol, 4-(1-methylethyl)-, 1-propanoate
    • VEILEX NO. 4
    • DTXSID7052317
    • NSC 29911
    • NSC 53047
    • Cyclohexanol, propanoate
    • UNII-L13P6FT34Z
    • NSC29911
    • DTXCID4030889
    • SCHEMBL13479342
    • SCHEMBL20909081
    • FFEOEKMMMQFWBO-UHFFFAOYSA-N
    • NSC53047
    • (4-Propan-2-ylcyclohexyl)propanoate
    • DB-315887
    • ISOPROPYL CYCLOHEXYLPROPIONATE [INCI]
    • NS00012732
    • Q27282573
    • 264-165-2

  • Applications

    Isopropyl cyclohexylpropionate (CAS 63449-95-6) is primarily used as a fragrance ingredient in perfumery and cosmetics/personal care, contributing a distinctive odor and often functioning as a mild fixative to help extend fragrance longevity. It is also employed in household products such as air fresheners and cleaning formulations to impart pleasant scent profiles. In industrial manufacturing, it may be used as a fragrance additive or odor component in formulated products, and it can serve as a blending agent to balance aroma in coatings or inks where fragrance is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2833.03
    methanol 2895.94
    isopropanol 3107.0
    water 0.45
    ethyl acetate 2986.78
    n-propanol 2189.02
    acetone 3529.91
    n-butanol 1998.07
    acetonitrile 2907.2
    DMF 2270.4
    toluene 942.62
    isobutanol 1733.86
    1,4-dioxane 3093.63
    methyl acetate 2142.68
    THF 3700.75
    2-butanone 2321.11
    n-pentanol 1165.76
    sec-butanol 1893.63
    n-hexane 296.47
    ethylene glycol 189.26
    NMP 1622.84
    cyclohexane 363.18
    DMSO 1946.92
    n-butyl acetate 2241.26
    n-octanol 564.71
    chloroform 5358.36
    n-propyl acetate 1492.17
    acetic acid 1435.46
    dichloromethane 4514.53
    cyclohexanone 2845.41
    propylene glycol 419.01
    isopropyl acetate 2045.89
    DMAc 1546.84
    2-ethoxyethanol 1212.25
    isopentanol 1873.71
    n-heptane 99.9
    ethyl formate 1378.51
    1,2-dichloroethane 2881.79
    n-hexanol 1366.52
    2-methoxyethanol 1921.13
    isobutyl acetate 1002.19
    tetrachloromethane 819.07
    n-pentyl acetate 1108.6
    transcutol 4434.28
    n-heptanol 533.08
    ethylbenzene 487.1
    MIBK 1339.66
    2-propoxyethanol 1805.24
    tert-butanol 3245.34
    MTBE 3463.94
    2-butoxyethanol 884.43
    propionic acid 1238.88
    o-xylene 572.9
    formic acid 304.95
    diethyl ether 2693.04
    m-xylene 687.05
    p-xylene 648.21
    chlorobenzene 1439.38
    dimethyl carbonate 420.95
    n-octane 61.45
    formamide 488.1
    cyclopentanone 2681.51
    2-pentanone 2120.92
    anisole 931.07
    cyclopentyl methyl ether 1822.63
    gamma-butyrolactone 2835.68
    1-methoxy-2-propanol 1676.85
    pyridine 2068.27
    3-pentanone 1291.38
    furfural 1914.88
    n-dodecane 49.9
    diethylene glycol 921.55
    diisopropyl ether 830.68
    tert-amyl alcohol 2029.68
    acetylacetone 2014.65
    n-hexadecane 59.65
    acetophenone 768.54
    methyl propionate 1465.22
    isopentyl acetate 1906.47
    trichloroethylene 4272.52
    n-nonanol 465.17
    cyclohexanol 1614.58
    benzyl alcohol 714.04
    2-ethylhexanol 735.39
    isooctanol 457.88
    dipropyl ether 948.59
    1,2-dichlorobenzene 1188.01
    ethyl lactate 405.9
    propylene carbonate 1615.63
    n-methylformamide 1104.8
    2-pentanol 1450.62
    n-pentane 217.52
    1-propoxy-2-propanol 1421.12
    1-methoxy-2-propyl acetate 1594.94
    2-(2-methoxypropoxy) propanol 775.78
    mesitylene 444.54
    ε-caprolactone 2431.48
    p-cymene 300.64
    epichlorohydrin 3064.31
    1,1,1-trichloroethane 3017.35
    2-aminoethanol 611.03
    morpholine-4-carbaldehyde 1780.68
    sulfolane 2410.53
    2,2,4-trimethylpentane 128.08
    2-methyltetrahydrofuran 3012.56
    n-hexyl acetate 1368.35
    isooctane 117.81
    2-(2-butoxyethoxy)ethanol 1162.29
    sec-butyl acetate 1146.73
    tert-butyl acetate 1860.3
    decalin 180.49
    glycerin 458.62
    diglyme 2005.09
    acrylic acid 748.47
    isopropyl myristate 452.81
    n-butyric acid 2375.09
    acetyl acetate 1417.11
    di(2-ethylhexyl) phthalate 370.22
    ethyl propionate 1131.47
    nitromethane 2207.02
    1,2-diethoxyethane 2024.16
    benzonitrile 1239.8
    trioctyl phosphate 279.26
    1-bromopropane 2080.25
    gamma-valerolactone 3009.79
    n-decanol 324.95
    triethyl phosphate 337.5
    4-methyl-2-pentanol 805.78
    propionitrile 1979.83
    vinylene carbonate 1316.35
    1,1,2-trichlorotrifluoroethane 1486.77
    DMS 850.16
    cumene 346.69
    2-octanol 438.58
    2-hexanone 1347.23
    octyl acetate 553.49
    limonene 486.53
    1,2-dimethoxyethane 2306.53
    ethyl orthosilicate 363.55
    tributyl phosphate 386.03
    diacetone alcohol 1388.87
    N,N-dimethylaniline 536.85
    acrylonitrile 1702.01
    aniline 1134.75
    1,3-propanediol 1098.98
    bromobenzene 1669.02
    dibromomethane 3381.97
    1,1,2,2-tetrachloroethane 3664.49
    2-methyl-cyclohexyl acetate 700.44
    tetrabutyl urea 421.58
    diisobutyl methanol 417.74
    2-phenylethanol 779.78
    styrene 657.01
    dioctyl adipate 574.57
    dimethyl sulfate 595.64
    ethyl butyrate 1091.64
    methyl lactate 494.06
    butyl lactate 692.11
    diethyl carbonate 607.92
    propanediol butyl ether 785.31
    triethyl orthoformate 653.21
    p-tert-butyltoluene 302.13
    methyl 4-tert-butylbenzoate 660.37
    morpholine 3310.56
    tert-butylamine 2112.32
    n-dodecanol 238.2
    dimethoxymethane 1397.79
    ethylene carbonate 1277.07
    cyrene 536.19
    2-ethoxyethyl acetate 1300.86
    2-ethylhexyl acetate 1317.5
    1,2,4-trichlorobenzene 1272.73
    4-methylpyridine 2251.08
    dibutyl ether 961.56
    2,6-dimethyl-4-heptanol 417.74
    DEF 1883.6
    dimethyl isosorbide 1217.52
    tetrachloroethylene 2173.45
    eugenol 609.93
    triacetin 901.22
    span 80 712.86
    1,4-butanediol 417.83
    1,1-dichloroethane 3801.7
    2-methyl-1-pentanol 1050.57
    methyl formate 768.4
    2-methyl-1-butanol 1532.48
    n-decane 92.75
    butyronitrile 2275.31
    3,7-dimethyl-1-octanol 622.22
    1-chlorooctane 453.87
    1-chlorotetradecane 159.22
    n-nonane 93.16
    undecane 65.6
    tert-butylcyclohexane 180.35
    cyclooctane 103.56
    cyclopentanol 1525.87
    tetrahydropyran 3359.18
    tert-amyl methyl ether 1624.65
    2,5,8-trioxanonane 1213.55
    1-hexene 1061.07
    2-isopropoxyethanol 1001.58
    2,2,2-trifluoroethanol 410.42
    methyl butyrate 1609.78

    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