tridecyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate

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  • Identifiers

    Molecular formula
    C21H41NO4

    SMILES
    CCCCCCCCCCCCCOC(=O)[C@H](CC(C)C)NC(=O)OC

  • Odor profile

    Odorless 40.83%
    Oily 33.85%
    Waxy 31.81%
    Herbal 30.1%
    Fatty 28.03%
    Lactonic 27.98%
    Cooling 24.73%
    Milky 24.59%
    Mint 24.48%
    Peach 23.23%

    Scent© AI

  • Properties

    XLogP3-AA
    7.7

    Molecular weight
    371.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    442°C

    Flash point est.
    185.34 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 463.73
    methanol 699.05
    isopropanol 394.26
    water 1.47
    ethyl acetate 1170.98
    n-propanol 409.12
    acetone 1077.02
    n-butanol 397.12
    acetonitrile 482.53
    DMF 1570.86
    toluene 375.46
    isobutanol 371.84
    1,4-dioxane 904.46
    methyl acetate 898.23
    THF 1948.69
    2-butanone 1012.89
    n-pentanol 289.0
    sec-butanol 462.84
    n-hexane 30.92
    ethylene glycol 42.77
    NMP 2648.73
    cyclohexane 138.12
    DMSO 1438.05
    n-butyl acetate 666.79
    n-octanol 173.21
    chloroform 1753.73
    n-propyl acetate 783.76
    acetic acid 928.21
    dichloromethane 2050.06
    cyclohexanone 2142.2
    propylene glycol 105.49
    isopropyl acetate 906.6
    DMAc 2552.4
    2-ethoxyethanol 650.73
    isopentanol 424.32
    n-heptane 16.81
    ethyl formate 549.56
    1,2-dichloroethane 1553.13
    n-hexanol 186.02
    2-methoxyethanol 868.12
    isobutyl acetate 464.32
    tetrachloromethane 360.96
    n-pentyl acetate 778.98
    transcutol 2083.4
    n-heptanol 190.43
    ethylbenzene 193.95
    MIBK 644.69
    2-propoxyethanol 491.23
    tert-butanol 539.33
    MTBE 742.91
    2-butoxyethanol 608.17
    propionic acid 594.6
    o-xylene 300.25
    formic acid 276.51
    diethyl ether 510.84
    m-xylene 234.01
    p-xylene 305.26
    chlorobenzene 585.14
    dimethyl carbonate 356.38
    n-octane 12.26
    formamide 595.68
    cyclopentanone 2034.36
    2-pentanone 949.37
    anisole 430.71
    cyclopentyl methyl ether 1024.2
    gamma-butyrolactone 2137.85
    1-methoxy-2-propanol 720.69
    pyridine 1097.71
    3-pentanone 743.02
    furfural 1454.61
    n-dodecane 8.76
    diethylene glycol 244.37
    diisopropyl ether 179.32
    tert-amyl alcohol 638.42
    acetylacetone 1253.79
    n-hexadecane 10.35
    acetophenone 607.08
    methyl propionate 793.56
    isopentyl acetate 709.91
    trichloroethylene 2525.9
    n-nonanol 166.29
    cyclohexanol 644.66
    benzyl alcohol 362.9
    2-ethylhexanol 151.05
    isooctanol 176.94
    dipropyl ether 208.21
    1,2-dichlorobenzene 611.04
    ethyl lactate 301.31
    propylene carbonate 1188.15
    n-methylformamide 701.23
    2-pentanol 311.61
    n-pentane 27.81
    1-propoxy-2-propanol 403.83
    1-methoxy-2-propyl acetate 701.82
    2-(2-methoxypropoxy) propanol 428.0
    mesitylene 143.1
    ε-caprolactone 1875.38
    p-cymene 104.7
    epichlorohydrin 2193.78
    1,1,1-trichloroethane 1412.08
    2-aminoethanol 169.04
    morpholine-4-carbaldehyde 1625.85
    sulfolane 2650.97
    2,2,4-trimethylpentane 35.8
    2-methyltetrahydrofuran 1607.39
    n-hexyl acetate 718.05
    isooctane 15.58
    2-(2-butoxyethoxy)ethanol 646.23
    sec-butyl acetate 623.42
    tert-butyl acetate 968.64
    decalin 56.67
    glycerin 170.7
    diglyme 1517.27
    acrylic acid 441.23
    isopropyl myristate 180.45
    n-butyric acid 1152.77
    acetyl acetate 772.74
    di(2-ethylhexyl) phthalate 194.9
    ethyl propionate 688.37
    nitromethane 1727.31
    1,2-diethoxyethane 689.74
    benzonitrile 462.47
    trioctyl phosphate 138.76
    1-bromopropane 653.58
    gamma-valerolactone 2837.29
    n-decanol 97.24
    triethyl phosphate 247.46
    4-methyl-2-pentanol 193.83
    propionitrile 411.86
    vinylene carbonate 876.88
    1,1,2-trichlorotrifluoroethane 1325.97
    DMS 497.1
    cumene 130.74
    2-octanol 152.99
    2-hexanone 637.71
    octyl acetate 259.84
    limonene 194.82
    1,2-dimethoxyethane 1149.89
    ethyl orthosilicate 239.27
    tributyl phosphate 191.39
    diacetone alcohol 874.38
    N,N-dimethylaniline 308.07
    acrylonitrile 476.03
    aniline 445.33
    1,3-propanediol 351.67
    bromobenzene 606.48
    dibromomethane 1142.7
    1,1,2,2-tetrachloroethane 2263.82
    2-methyl-cyclohexyl acetate 426.86
    tetrabutyl urea 266.09
    diisobutyl methanol 98.99
    2-phenylethanol 257.44
    styrene 242.69
    dioctyl adipate 321.95
    dimethyl sulfate 709.79
    ethyl butyrate 504.6
    methyl lactate 360.05
    butyl lactate 504.49
    diethyl carbonate 295.28
    propanediol butyl ether 422.49
    triethyl orthoformate 345.78
    p-tert-butyltoluene 97.33
    methyl 4-tert-butylbenzoate 556.21
    morpholine 1450.2
    tert-butylamine 293.01
    n-dodecanol 63.43
    dimethoxymethane 840.93
    ethylene carbonate 849.84
    cyrene 491.56
    2-ethoxyethyl acetate 992.29
    2-ethylhexyl acetate 534.09
    1,2,4-trichlorobenzene 764.22
    4-methylpyridine 1186.58
    dibutyl ether 262.83
    2,6-dimethyl-4-heptanol 98.99
    DEF 1508.64
    dimethyl isosorbide 802.89
    tetrachloroethylene 1464.52
    eugenol 458.3
    triacetin 732.62
    span 80 353.32
    1,4-butanediol 133.84
    1,1-dichloroethane 1251.99
    2-methyl-1-pentanol 337.52
    methyl formate 483.39
    2-methyl-1-butanol 432.03
    n-decane 18.67
    butyronitrile 478.86
    3,7-dimethyl-1-octanol 175.28
    1-chlorooctane 139.28
    1-chlorotetradecane 37.33
    n-nonane 16.78
    undecane 11.88
    tert-butylcyclohexane 38.95
    cyclooctane 29.62
    cyclopentanol 675.27
    tetrahydropyran 1278.02
    tert-amyl methyl ether 633.07
    2,5,8-trioxanonane 765.83
    1-hexene 145.28
    2-isopropoxyethanol 492.84
    2,2,2-trifluoroethanol 443.79
    methyl butyrate 1011.69

    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