Carbamic acid, (3-((((isotetradecyloxyl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-isotetradecyl ester

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  • Identifiers

    CAS number
    187951-30-0

    Molecular formula
    C40H78N2O4

    SMILES
    CCCCCCCCC(CCCC)COC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(CCCC)CCCCCCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 37.53%
    Waxy 37.35%
    Woody 35.93%
    Oily 32.38%
    Odorless 29.45%
    Mint 29.12%
    Cooling 27.37%
    Fatty 25.66%
    Fresh 25.3%
    Balsamic 23.81%

     

    Flavor
    Bland 35.1%
    Mild 34.98%
    Odorless 27.16%
    Waxy 25.97%
    Faint 25.94%
    Oily 25.17%
    Fatty 23.01%
    Slightly waxy 21.77%
    Delicate 21.13%
    Bay oil 21.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.2

    pKa est.
    7.82 (neutral)

    Molecular weight
    651.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    591°C

    Flash point

    • 259.64 ˚C est.

  • Synonyms

    • Dibutyldecyl IPDI
    • Isotetradecyl IPDI
    • Monoderm I-14
    • (+/-)-Isotetradecyl IPDI
    • Isotetradecyl IPDI, (+/-)-
    • UNII-CN772MJ74V
    • CN772MJ74V
    • 187951-30-0
    • dibutyldecyl isophorone diisocyanate
    • Carbamic acid, (3-((((isotetradecyloxyl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)- isotetradecyl ester
    • SCHEMBL29369732
    • Q27275545
    • 187951-30-0

  • Applications

    Carbamic acid, (3-((((isotetradecyloxyl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-isotetradecyl ester, CAS number: 187951-30-0 may serve as a specialty chemical intermediate and amine-protecting group in organic synthesis; it is evaluated as a component in polyurethane/polyurea formulations and as a plasticizer or processing aid in polymers and coatings; owing to its bulky hydrophobic isotetradecyl substituent, it may function as a nonionic surfactant or slip/lubricant additive in coatings, inks, and cleaning formulations; it may be considered for use in cosmetics and personal care as a carrier or conditioning component; and in industrial manufacturing it can be used as an intermediate or modifier for specialty polymer blends.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.51
    methanol 117.1
    isopropanol 112.21
    water 2.15
    ethyl acetate 417.78
    n-propanol 167.17
    acetone 324.24
    n-butanol 157.76
    acetonitrile 92.95
    DMF 549.99
    toluene 233.82
    isobutanol 149.65
    1,4-dioxane 276.42
    methyl acetate 324.93
    THF 812.66
    2-butanone 409.1
    n-pentanol 140.29
    sec-butanol 172.79
    n-hexane 33.35
    ethylene glycol 20.4
    NMP 1440.33
    cyclohexane 53.89
    DMSO 395.63
    n-butyl acetate 282.44
    n-octanol 110.83
    chloroform 902.31
    n-propyl acetate 270.88
    acetic acid 460.37
    dichloromethane 792.88
    cyclohexanone 759.74
    propylene glycol 54.34
    isopropyl acetate 355.16
    DMAc 1110.9
    2-ethoxyethanol 194.51
    isopentanol 142.04
    n-heptane 22.54
    ethyl formate 212.98
    1,2-dichloroethane 514.97
    n-hexanol 122.75
    2-methoxyethanol 250.23
    isobutyl acetate 213.74
    tetrachloromethane 221.19
    n-pentyl acetate 407.3
    transcutol 609.31
    n-heptanol 126.38
    ethylbenzene 109.05
    MIBK 258.54
    2-propoxyethanol 255.64
    tert-butanol 117.18
    MTBE 202.16
    2-butoxyethanol 301.63
    propionic acid 313.27
    o-xylene 172.12
    formic acid 148.56
    diethyl ether 192.68
    m-xylene 158.36
    p-xylene 138.27
    chlorobenzene 333.93
    dimethyl carbonate 261.98
    n-octane 13.39
    formamide 199.92
    cyclopentanone 913.31
    2-pentanone 396.24
    anisole 166.33
    cyclopentyl methyl ether 534.67
    gamma-butyrolactone 975.84
    1-methoxy-2-propanol 256.91
    pyridine 420.83
    3-pentanone 397.14
    furfural 612.68
    n-dodecane 6.83
    diethylene glycol 103.39
    diisopropyl ether 85.79
    tert-amyl alcohol 189.56
    acetylacetone 482.52
    n-hexadecane 8.09
    acetophenone 276.7
    methyl propionate 448.17
    isopentyl acetate 289.03
    trichloroethylene 1066.63
    n-nonanol 111.5
    cyclohexanol 251.05
    benzyl alcohol 156.75
    2-ethylhexanol 97.47
    isooctanol 110.31
    dipropyl ether 131.56
    1,2-dichlorobenzene 343.46
    ethyl lactate 166.71
    propylene carbonate 609.34
    n-methylformamide 284.67
    2-pentanol 139.44
    n-pentane 32.02
    1-propoxy-2-propanol 236.57
    1-methoxy-2-propyl acetate 389.33
    2-(2-methoxypropoxy) propanol 232.02
    mesitylene 90.62
    ε-caprolactone 837.97
    p-cymene 73.93
    epichlorohydrin 841.22
    1,1,1-trichloroethane 592.6
    2-aminoethanol 70.54
    morpholine-4-carbaldehyde 710.58
    sulfolane 1420.27
    2,2,4-trimethylpentane 28.31
    2-methyltetrahydrofuran 660.66
    n-hexyl acetate 413.55
    isooctane 12.3
    2-(2-butoxyethoxy)ethanol 295.4
    sec-butyl acetate 255.38
    tert-butyl acetate 387.3
    decalin 29.19
    glycerin 82.23
    diglyme 533.39
    acrylic acid 270.07
    isopropyl myristate 113.13
    n-butyric acid 469.82
    acetyl acetate 336.01
    di(2-ethylhexyl) phthalate 135.95
    ethyl propionate 287.75
    nitromethane 548.52
    1,2-diethoxyethane 238.19
    benzonitrile 158.63
    trioctyl phosphate 107.48
    1-bromopropane 313.3
    gamma-valerolactone 1045.03
    n-decanol 68.11
    triethyl phosphate 164.31
    4-methyl-2-pentanol 87.87
    propionitrile 117.23
    vinylene carbonate 495.14
    1,1,2-trichlorotrifluoroethane 707.13
    DMS 331.36
    cumene 73.03
    2-octanol 99.52
    2-hexanone 264.49
    octyl acetate 175.19
    limonene 120.28
    1,2-dimethoxyethane 259.31
    ethyl orthosilicate 149.67
    tributyl phosphate 133.0
    diacetone alcohol 332.35
    N,N-dimethylaniline 143.36
    acrylonitrile 137.14
    aniline 233.15
    1,3-propanediol 115.29
    bromobenzene 362.26
    dibromomethane 519.9
    1,1,2,2-tetrachloroethane 956.91
    2-methyl-cyclohexyl acetate 238.36
    tetrabutyl urea 176.78
    diisobutyl methanol 55.66
    2-phenylethanol 142.34
    styrene 116.05
    dioctyl adipate 189.86
    dimethyl sulfate 563.93
    ethyl butyrate 247.62
    methyl lactate 243.63
    butyl lactate 316.72
    diethyl carbonate 160.21
    propanediol butyl ether 229.41
    triethyl orthoformate 204.16
    p-tert-butyltoluene 73.49
    methyl 4-tert-butylbenzoate 360.59
    morpholine 455.54
    tert-butylamine 75.7
    n-dodecanol 43.12
    dimethoxymethane 344.2
    ethylene carbonate 437.41
    cyrene 287.06
    2-ethoxyethyl acetate 491.53
    2-ethylhexyl acetate 256.82
    1,2,4-trichlorobenzene 470.78
    4-methylpyridine 455.47
    dibutyl ether 127.18
    2,6-dimethyl-4-heptanol 55.66
    DEF 530.09
    dimethyl isosorbide 423.12
    tetrachloroethylene 580.36
    eugenol 227.85
    triacetin 465.94
    span 80 233.69
    1,4-butanediol 56.46
    1,1-dichloroethane 481.32
    2-methyl-1-pentanol 140.33
    methyl formate 225.91
    2-methyl-1-butanol 183.16
    n-decane 16.51
    butyronitrile 131.42
    3,7-dimethyl-1-octanol 98.51
    1-chlorooctane 92.57
    1-chlorotetradecane 25.08
    n-nonane 15.85
    undecane 9.96
    tert-butylcyclohexane 23.43
    cyclooctane 23.48
    cyclopentanol 292.24
    tetrahydropyran 445.41
    tert-amyl methyl ether 258.28
    2,5,8-trioxanonane 291.98
    1-hexene 99.29
    2-isopropoxyethanol 173.91
    2,2,2-trifluoroethanol 277.72
    methyl butyrate 343.76

    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