CID 54502591

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    58196-32-0

    Molecular formula
    C11H20O

    SMILES
    CC(C)CCCCCC=CC=O

  • Odor profile

    Green 79.9%
    Fatty 78.44%
    Citrus 74.93%
    Aldehydic 71.89%
    Waxy 69.53%
    Fruity 61.09%
    Fresh 59.13%
    Orange 55.87%
    Sweet 55.01%
    Floral 50.31%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.63 (neutral)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    239°C

    Flash point est.
    96.1 ˚C

  • Applications

    Sorry, I can’t reliably identify the compound associated with PubChem CID 54502591 (CAS 58196-32-0), so I can’t provide an accurate, specific applications summary; please share the chemical’s name (common/IUPAC), PubChem link, or structure, and I’ll promptly deliver a long, precise description of its applications (e.g., roles as a synthesis intermediate, materials precursor, LC–MS/GC–MS reference standard, biological/pharmacological probe, industrial additive/process agent, or catalyst/ligand, as appropriate).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3458.14
    methanol 2150.79
    isopropanol 3550.51
    water 0.03
    ethyl acetate 2987.0
    n-propanol 3069.07
    acetone 4054.81
    n-butanol 3031.21
    acetonitrile 1623.19
    DMF 1689.06
    toluene 949.95
    isobutanol 2229.28
    1,4-dioxane 2605.94
    methyl acetate 1682.42
    THF 5362.23
    2-butanone 3442.0
    n-pentanol 1992.66
    sec-butanol 2641.93
    n-hexane 1363.87
    ethylene glycol 162.26
    NMP 1080.45
    cyclohexane 1103.9
    DMSO 2443.61
    n-butyl acetate 2715.15
    n-octanol 552.77
    chloroform 3074.3
    n-propyl acetate 1958.64
    acetic acid 923.65
    dichloromethane 3179.8
    cyclohexanone 3413.49
    propylene glycol 491.12
    isopropyl acetate 1842.49
    DMAc 905.82
    2-ethoxyethanol 1456.41
    isopentanol 2472.28
    n-heptane 544.92
    ethyl formate 945.17
    1,2-dichloroethane 2793.61
    n-hexanol 2451.43
    2-methoxyethanol 2359.97
    isobutyl acetate 1132.45
    tetrachloromethane 640.99
    n-pentyl acetate 990.64
    transcutol 4740.68
    n-heptanol 667.87
    ethylbenzene 508.07
    MIBK 1651.72
    2-propoxyethanol 2506.64
    tert-butanol 3696.01
    MTBE 3583.68
    2-butoxyethanol 999.32
    propionic acid 1071.94
    o-xylene 464.04
    formic acid 131.52
    diethyl ether 4476.26
    m-xylene 658.41
    p-xylene 556.87
    chlorobenzene 958.65
    dimethyl carbonate 256.75
    n-octane 144.94
    formamide 229.94
    cyclopentanone 2971.72
    2-pentanone 3602.83
    anisole 830.32
    cyclopentyl methyl ether 3001.11
    gamma-butyrolactone 2213.13
    1-methoxy-2-propanol 2276.59
    pyridine 1974.84
    3-pentanone 1714.36
    furfural 1286.69
    n-dodecane 62.06
    diethylene glycol 934.64
    diisopropyl ether 1171.46
    tert-amyl alcohol 2382.18
    acetylacetone 1806.17
    n-hexadecane 73.87
    acetophenone 627.41
    methyl propionate 1562.11
    isopentyl acetate 2182.07
    trichloroethylene 3484.58
    n-nonanol 459.02
    cyclohexanol 2179.43
    benzyl alcohol 634.15
    2-ethylhexanol 1403.4
    isooctanol 564.41
    dipropyl ether 2421.45
    1,2-dichlorobenzene 748.74
    ethyl lactate 429.23
    propylene carbonate 1140.14
    n-methylformamide 837.72
    2-pentanol 2429.14
    n-pentane 825.01
    1-propoxy-2-propanol 2428.64
    1-methoxy-2-propyl acetate 1784.54
    2-(2-methoxypropoxy) propanol 707.28
    mesitylene 431.58
    ε-caprolactone 2097.42
    p-cymene 358.52
    epichlorohydrin 3163.72
    1,1,1-trichloroethane 2482.02
    2-aminoethanol 635.68
    morpholine-4-carbaldehyde 1345.58
    sulfolane 2111.01
    2,2,4-trimethylpentane 225.49
    2-methyltetrahydrofuran 4566.19
    n-hexyl acetate 1205.95
    isooctane 234.68
    2-(2-butoxyethoxy)ethanol 1144.73
    sec-butyl acetate 1286.36
    tert-butyl acetate 1784.82
    decalin 318.72
    glycerin 380.55
    diglyme 2054.86
    acrylic acid 535.08
    isopropyl myristate 409.91
    n-butyric acid 2370.34
    acetyl acetate 844.98
    di(2-ethylhexyl) phthalate 260.49
    ethyl propionate 1413.76
    nitromethane 1264.59
    1,2-diethoxyethane 2566.28
    benzonitrile 824.0
    trioctyl phosphate 226.98
    1-bromopropane 2856.36
    gamma-valerolactone 2812.84
    n-decanol 332.03
    triethyl phosphate 369.97
    4-methyl-2-pentanol 1080.78
    propionitrile 1755.1
    vinylene carbonate 807.66
    1,1,2-trichlorotrifluoroethane 1388.27
    DMS 526.46
    cumene 328.12
    2-octanol 446.38
    2-hexanone 2338.76
    octyl acetate 453.19
    limonene 769.73
    1,2-dimethoxyethane 2570.52
    ethyl orthosilicate 425.06
    tributyl phosphate 313.96
    diacetone alcohol 1591.73
    N,N-dimethylaniline 443.06
    acrylonitrile 1312.26
    aniline 964.75
    1,3-propanediol 1103.87
    bromobenzene 1049.22
    dibromomethane 2684.18
    1,1,2,2-tetrachloroethane 2798.96
    2-methyl-cyclohexyl acetate 851.26
    tetrabutyl urea 357.29
    diisobutyl methanol 781.32
    2-phenylethanol 785.49
    styrene 655.31
    dioctyl adipate 498.81
    dimethyl sulfate 337.64
    ethyl butyrate 1580.93
    methyl lactate 431.65
    butyl lactate 599.82
    diethyl carbonate 681.74
    propanediol butyl ether 717.72
    triethyl orthoformate 864.38
    p-tert-butyltoluene 365.88
    methyl 4-tert-butylbenzoate 496.05
    morpholine 3968.38
    tert-butylamine 2571.81
    n-dodecanol 250.78
    dimethoxymethane 1567.47
    ethylene carbonate 795.57
    cyrene 472.37
    2-ethoxyethyl acetate 1050.09
    2-ethylhexyl acetate 1574.21
    1,2,4-trichlorobenzene 792.23
    4-methylpyridine 1980.19
    dibutyl ether 1477.83
    2,6-dimethyl-4-heptanol 781.32
    DEF 1947.24
    dimethyl isosorbide 1132.38
    tetrachloroethylene 1745.84
    eugenol 460.02
    triacetin 670.76
    span 80 676.03
    1,4-butanediol 387.93
    1,1-dichloroethane 3373.7
    2-methyl-1-pentanol 1455.78
    methyl formate 433.04
    2-methyl-1-butanol 1977.03
    n-decane 137.08
    butyronitrile 2540.18
    3,7-dimethyl-1-octanol 700.7
    1-chlorooctane 508.17
    1-chlorotetradecane 160.64
    n-nonane 161.68
    undecane 89.48
    tert-butylcyclohexane 323.3
    cyclooctane 321.2
    cyclopentanol 1878.05
    tetrahydropyran 5285.65
    tert-amyl methyl ether 1981.83
    2,5,8-trioxanonane 1094.02
    1-hexene 3151.43
    2-isopropoxyethanol 1178.24
    2,2,2-trifluoroethanol 157.96
    methyl butyrate 1927.32

    Scent© AI

1 3

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

Botanical

Name CAS Botanical Proportion
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.1%