Alipur

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  • Identifiers

    CAS number
    8015-55-2

    Molecular formula
    C22H32ClN3O3

    SMILES
    CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl.CN(C)C(=O)NC1CCCCCCC1

  • Odor profile

    Fragrance
    Grape 35.09%
    Odorless 34.44%
    Fruity 31.93%
    Floral 27.64%
    Citrus 25.84%
    Savory 23.81%
    Animal 23.61%
    Meaty 23.36%
    Grapefruit 23.16%
    Roasted 21.24%

     

    Flavor
    Bitter 59.62%
    Odorless 47.8%
    Mild 30.9%
    Bland 24.09%
    Nitrile 19.41%
    Very mild 19.24%
    Orange flower 18.97%
    Sweet-like 18.87%
    Yeast 18.44%
    Taco 18.19%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.76 (neutral)

    Molecular weight
    422.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point

    • 128.69 ˚C est.

  • Synonyms

    • ALIPUR
    • 8015-55-2
    • but-3-yn-2-yl N-(3-chlorophenyl)carbamate;3-cyclooctyl-1,1-dimethylurea
    • Cyceuron plus chlorbufan
    • HS 55
    • BJ48RYG5ZF
    • Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester, mixt. with N'-cyclooctyl-N,N-dimethylurea
    • DTXSID901001002
    • 3-CYCLOOCTYL-1,1-DIMETHYL UREA MIXED WITH BUTYNYL-3N-3-
    • N'-Cyclooctyl-N,N-dimethylcarbamimidic acid--but-3-yn-2-yl hydrogen (3-chlorophenyl)carbonimidate (1/1)

  • Applications

    Alipur (CAS 8015-55-2) is used as a solvent and processing intermediate with potential applications across industries such as coatings and inks, adhesives, polymers/plastics, and cleaning formulations; it may also be evaluated for use in cosmetics and personal care formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 109.68
    methanol 170.44
    isopropanol 53.11
    water 0.59
    ethyl acetate 82.1
    n-propanol 64.45
    acetone 229.28
    n-butanol 51.39
    acetonitrile 89.1
    DMF 904.45
    toluene 6.59
    isobutanol 38.09
    1,4-dioxane 165.33
    methyl acetate 103.4
    THF 275.45
    2-butanone 122.53
    n-pentanol 47.29
    sec-butanol 43.59
    n-hexane 0.64
    ethylene glycol 60.09
    NMP 329.37
    cyclohexane 0.49
    DMSO 723.1
    n-butyl acetate 49.61
    n-octanol 23.6
    chloroform 70.04
    n-propyl acetate 62.06
    acetic acid 173.95
    dichloromethane 79.17
    cyclohexanone 117.43
    propylene glycol 60.53
    isopropyl acetate 46.43
    DMAc 698.21
    2-ethoxyethanol 149.14
    isopentanol 41.4
    n-heptane 1.06
    ethyl formate 78.56
    1,2-dichloroethane 59.31
    n-hexanol 34.57
    2-methoxyethanol 310.5
    isobutyl acetate 37.17
    tetrachloromethane 3.38
    n-pentyl acetate 34.24
    transcutol 333.26
    n-heptanol 21.41
    ethylbenzene 7.33
    MIBK 52.2
    2-propoxyethanol 119.88
    tert-butanol 62.67
    MTBE 33.62
    2-butoxyethanol 67.51
    propionic acid 79.99
    o-xylene 7.85
    formic acid 123.04
    diethyl ether 39.66
    m-xylene 7.6
    p-xylene 11.04
    chlorobenzene 21.73
    dimethyl carbonate 85.05
    n-octane 0.66
    formamide 212.39
    cyclopentanone 178.78
    2-pentanone 88.9
    anisole 58.56
    cyclopentyl methyl ether 55.06
    gamma-butyrolactone 211.67
    1-methoxy-2-propanol 195.98
    pyridine 80.8
    3-pentanone 65.77
    furfural 208.26
    n-dodecane 1.26
    diethylene glycol 150.51
    diisopropyl ether 8.53
    tert-amyl alcohol 48.17
    acetylacetone 154.86
    n-hexadecane 1.41
    acetophenone 65.67
    methyl propionate 92.63
    isopentyl acetate 42.55
    trichloroethylene 115.62
    n-nonanol 23.43
    cyclohexanol 31.01
    benzyl alcohol 53.37
    2-ethylhexanol 21.12
    isooctanol 17.94
    dipropyl ether 26.1
    1,2-dichlorobenzene 26.14
    ethyl lactate 61.5
    propylene carbonate 111.58
    n-methylformamide 233.64
    2-pentanol 27.82
    n-pentane 0.41
    1-propoxy-2-propanol 80.02
    1-methoxy-2-propyl acetate 82.84
    2-(2-methoxypropoxy) propanol 96.19
    mesitylene 5.44
    ε-caprolactone 96.8
    p-cymene 9.11
    epichlorohydrin 183.02
    1,1,1-trichloroethane 28.62
    2-aminoethanol 87.88
    morpholine-4-carbaldehyde 312.31
    sulfolane 267.63
    2,2,4-trimethylpentane 0.86
    2-methyltetrahydrofuran 84.98
    n-hexyl acetate 47.75
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 117.79
    sec-butyl acetate 36.38
    tert-butyl acetate 51.62
    decalin 1.33
    glycerin 122.83
    diglyme 204.71
    acrylic acid 90.54
    isopropyl myristate 23.61
    n-butyric acid 82.5
    acetyl acetate 58.8
    di(2-ethylhexyl) phthalate 33.2
    ethyl propionate 57.62
    nitromethane 386.89
    1,2-diethoxyethane 69.96
    benzonitrile 52.15
    trioctyl phosphate 22.38
    1-bromopropane 19.67
    gamma-valerolactone 261.13
    n-decanol 19.08
    triethyl phosphate 32.94
    4-methyl-2-pentanol 19.64
    propionitrile 55.86
    vinylene carbonate 106.43
    1,1,2-trichlorotrifluoroethane 179.34
    DMS 67.07
    cumene 7.55
    2-octanol 14.88
    2-hexanone 64.87
    octyl acetate 31.91
    limonene 13.04
    1,2-dimethoxyethane 239.39
    ethyl orthosilicate 28.37
    tributyl phosphate 29.03
    diacetone alcohol 94.13
    N,N-dimethylaniline 45.29
    acrylonitrile 89.47
    aniline 33.27
    1,3-propanediol 106.52
    bromobenzene 15.54
    dibromomethane 35.91
    1,1,2,2-tetrachloroethane 93.58
    2-methyl-cyclohexyl acetate 41.11
    tetrabutyl urea 45.38
    diisobutyl methanol 14.37
    2-phenylethanol 45.48
    styrene 10.69
    dioctyl adipate 44.16
    dimethyl sulfate 174.77
    ethyl butyrate 45.22
    methyl lactate 100.57
    butyl lactate 47.68
    diethyl carbonate 39.16
    propanediol butyl ether 84.42
    triethyl orthoformate 37.87
    p-tert-butyltoluene 9.16
    methyl 4-tert-butylbenzoate 60.11
    morpholine 177.57
    tert-butylamine 23.61
    n-dodecanol 15.17
    dimethoxymethane 273.77
    ethylene carbonate 81.97
    cyrene 103.79
    2-ethoxyethyl acetate 64.84
    2-ethylhexyl acetate 32.16
    1,2,4-trichlorobenzene 37.16
    4-methylpyridine 74.8
    dibutyl ether 23.53
    2,6-dimethyl-4-heptanol 14.37
    DEF 134.7
    dimethyl isosorbide 131.15
    tetrachloroethylene 42.99
    eugenol 73.73
    triacetin 77.09
    span 80 69.62
    1,4-butanediol 48.16
    1,1-dichloroethane 39.52
    2-methyl-1-pentanol 38.36
    methyl formate 176.44
    2-methyl-1-butanol 37.56
    n-decane 1.63
    butyronitrile 55.9
    3,7-dimethyl-1-octanol 23.49
    1-chlorooctane 10.02
    1-chlorotetradecane 5.39
    n-nonane 1.22
    undecane 1.42
    tert-butylcyclohexane 1.41
    cyclooctane 0.23
    cyclopentanol 47.14
    tetrahydropyran 68.74
    tert-amyl methyl ether 31.16
    2,5,8-trioxanonane 161.16
    1-hexene 6.32
    2-isopropoxyethanol 81.02
    2,2,2-trifluoroethanol 71.67
    methyl butyrate 79.95

    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