Carbamic acid, [3-[[[(isododecyloxy)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-, isododecyl ester

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  • Identifiers

    CAS number
    187951-29-7

    Molecular formula
    C36H70N2O4

    SMILES
    CC(C)CCCCCCCCCOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCCCCCCCCCC(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 37.44%
    Waxy 33.86%
    Odorless 33.38%
    Cooling 30.81%
    Mint 29.77%
    Herbal 29.38%
    Animal 25.23%
    Oily 25.19%
    Amber 24.21%
    Fresh 24.03%

     

    Flavor
    Mild 35.6%
    Bland 32.94%
    Oily 28.86%
    Waxy 26.26%
    Odorless 25.49%
    Faint 24.26%
    Woody 21.75%
    Slightly waxy 21.43%
    Fatty 21.2%
    Delicate 21.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.0

    pKa est.
    7.75 (neutral)

    Molecular weight
    595.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    556°C

    Flash point

    • 259.39 ˚C est.

  • Synonyms

    • DTXSID501021490
    • 187951-29-7
    • Carbamic acid, [3-[[[(isododecyloxy)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-, isododecyl ester
    • 187951-29-7

  • Applications

    Chemical name: Carbamic acid, [3-[[[(isododecyloxy)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-, isododecyl ester; CAS number: 187951-29-7 may be used as a plasticizer and processing aid in polymers and coatings to improve flexibility and film-forming properties; as an intermediate in urethane/carbamate chemistries for polyurethane formulations; as an additive in coatings and inks to modulate rheology and open time; as an emollient or carrier ingredient in cosmetics/personal care; and as a fragrance fixative or scent carrier in perfumery, with use subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 107.52
    methanol 97.04
    isopropanol 73.74
    water 1.17
    ethyl acetate 246.98
    n-propanol 127.74
    acetone 207.3
    n-butanol 113.46
    acetonitrile 50.51
    DMF 408.49
    toluene 133.85
    isobutanol 104.38
    1,4-dioxane 180.74
    methyl acetate 194.85
    THF 596.39
    2-butanone 279.2
    n-pentanol 101.72
    sec-butanol 118.06
    n-hexane 18.03
    ethylene glycol 12.09
    NMP 1079.69
    cyclohexane 25.95
    DMSO 270.69
    n-butyl acetate 195.95
    n-octanol 76.54
    chloroform 652.56
    n-propyl acetate 191.55
    acetic acid 317.33
    dichloromethane 537.7
    cyclohexanone 512.04
    propylene glycol 36.58
    isopropyl acetate 222.02
    DMAc 803.41
    2-ethoxyethanol 150.97
    isopentanol 102.26
    n-heptane 12.36
    ethyl formate 143.46
    1,2-dichloroethane 342.66
    n-hexanol 86.99
    2-methoxyethanol 192.11
    isobutyl acetate 152.77
    tetrachloromethane 137.92
    n-pentyl acetate 269.96
    transcutol 476.68
    n-heptanol 87.44
    ethylbenzene 66.63
    MIBK 184.6
    2-propoxyethanol 197.39
    tert-butanol 76.15
    MTBE 128.81
    2-butoxyethanol 222.39
    propionic acid 201.49
    o-xylene 98.9
    formic acid 109.63
    diethyl ether 120.41
    m-xylene 90.9
    p-xylene 82.98
    chlorobenzene 198.02
    dimethyl carbonate 143.21
    n-octane 6.76
    formamide 141.01
    cyclopentanone 646.47
    2-pentanone 262.87
    anisole 109.04
    cyclopentyl methyl ether 350.08
    gamma-butyrolactone 677.15
    1-methoxy-2-propanol 190.74
    pyridine 280.69
    3-pentanone 249.68
    furfural 421.56
    n-dodecane 3.31
    diethylene glycol 73.26
    diisopropyl ether 50.43
    tert-amyl alcohol 127.48
    acetylacetone 305.13
    n-hexadecane 3.94
    acetophenone 185.05
    methyl propionate 271.65
    isopentyl acetate 202.09
    trichloroethylene 744.8
    n-nonanol 76.22
    cyclohexanol 163.76
    benzyl alcohol 108.27
    2-ethylhexanol 68.37
    isooctanol 76.17
    dipropyl ether 88.51
    1,2-dichlorobenzene 198.22
    ethyl lactate 114.71
    propylene carbonate 393.75
    n-methylformamide 199.9
    2-pentanol 92.91
    n-pentane 16.8
    1-propoxy-2-propanol 176.82
    1-methoxy-2-propyl acetate 280.09
    2-(2-methoxypropoxy) propanol 175.97
    mesitylene 49.28
    ε-caprolactone 582.33
    p-cymene 46.06
    epichlorohydrin 611.34
    1,1,1-trichloroethane 368.98
    2-aminoethanol 50.04
    morpholine-4-carbaldehyde 509.69
    sulfolane 958.38
    2,2,4-trimethylpentane 15.11
    2-methyltetrahydrofuran 455.39
    n-hexyl acetate 276.82
    isooctane 6.57
    2-(2-butoxyethoxy)ethanol 223.47
    sec-butyl acetate 172.27
    tert-butyl acetate 252.8
    decalin 15.42
    glycerin 55.64
    diglyme 409.55
    acrylic acid 165.58
    isopropyl myristate 71.2
    n-butyric acid 318.89
    acetyl acetate 184.46
    di(2-ethylhexyl) phthalate 91.82
    ethyl propionate 188.4
    nitromethane 355.22
    1,2-diethoxyethane 160.58
    benzonitrile 95.77
    trioctyl phosphate 69.16
    1-bromopropane 200.82
    gamma-valerolactone 779.08
    n-decanol 44.8
    triethyl phosphate 109.17
    4-methyl-2-pentanol 62.13
    propionitrile 67.07
    vinylene carbonate 315.5
    1,1,2-trichlorotrifluoroethane 511.25
    DMS 197.38
    cumene 45.48
    2-octanol 63.89
    2-hexanone 191.82
    octyl acetate 109.01
    limonene 73.77
    1,2-dimethoxyethane 202.66
    ethyl orthosilicate 103.78
    tributyl phosphate 88.48
    diacetone alcohol 243.56
    N,N-dimethylaniline 93.99
    acrylonitrile 79.57
    aniline 146.52
    1,3-propanediol 84.17
    bromobenzene 206.28
    dibromomethane 340.09
    1,1,2,2-tetrachloroethane 662.21
    2-methyl-cyclohexyl acetate 169.46
    tetrabutyl urea 118.9
    diisobutyl methanol 36.23
    2-phenylethanol 101.6
    styrene 70.34
    dioctyl adipate 125.63
    dimethyl sulfate 347.73
    ethyl butyrate 168.32
    methyl lactate 154.61
    butyl lactate 222.79
    diethyl carbonate 100.0
    propanediol butyl ether 167.99
    triethyl orthoformate 144.52
    p-tert-butyltoluene 45.21
    methyl 4-tert-butylbenzoate 255.02
    morpholine 327.85
    tert-butylamine 47.36
    n-dodecanol 26.98
    dimethoxymethane 242.36
    ethylene carbonate 270.34
    cyrene 213.01
    2-ethoxyethyl acetate 336.79
    2-ethylhexyl acetate 177.63
    1,2,4-trichlorobenzene 283.83
    4-methylpyridine 295.94
    dibutyl ether 79.03
    2,6-dimethyl-4-heptanol 36.23
    DEF 359.66
    dimethyl isosorbide 323.51
    tetrachloroethylene 404.88
    eugenol 160.3
    triacetin 320.34
    span 80 173.13
    1,4-butanediol 37.3
    1,1-dichloroethane 309.23
    2-methyl-1-pentanol 101.15
    methyl formate 156.46
    2-methyl-1-butanol 130.81
    n-decane 8.74
    butyronitrile 82.46
    3,7-dimethyl-1-octanol 67.37
    1-chlorooctane 57.92
    1-chlorotetradecane 13.55
    n-nonane 8.21
    undecane 5.04
    tert-butylcyclohexane 13.42
    cyclooctane 10.69
    cyclopentanol 196.34
    tetrahydropyran 288.08
    tert-amyl methyl ether 164.84
    2,5,8-trioxanonane 220.47
    1-hexene 61.87
    2-isopropoxyethanol 130.08
    2,2,2-trifluoroethanol 164.88
    methyl butyrate 242.54

    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