Methyl undecenoyl leucinate

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  • Identifiers

    CAS number
    1246371-29-8

    Molecular formula
    C18H33NO3

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 37.45%
    Cooling 33.18%
    Savory 31.54%
    Odorless 31.36%
    Mint 29.39%
    Citrus 28.05%
    Meaty 27.11%
    Fatty 25.16%
    Milky 24.89%
    Oily 24.57%

     

    Flavor
    Herbal 29.5%
    Bland 27.82%
    Odorless 25.61%
    Mild 24.31%
    Slightly waxy 19.59%
    Cedarleaf 19.51%
    Parsley 19.04%
    Bay oil 18.91%
    Delicate 18.81%
    Sandalwood 18.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    6.65 (neutral)

    Molecular weight
    311.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 167.89 ˚C est.

  • Synonyms

    • Methyl undecenoyl leucinate
    • UNII-D7PH6N3IEI
    • D7PH6N3IEI
    • 1246371-29-8
    • L-Leucine, N-(1-oxo-10-undecen-1-yl)-, methyl ester
    • RefChem:58104
    • ISAKNOX TERVINA LUMIERE WHITE
    • SCHEMBL30308681
    • DB11272
    • NS00073598
    • Q27276221
    • 1246371-29-8

  • Applications

    Methyl undecenoyl leucinate (CAS 1246371-29-8) is an ester derivative that may find use as a fragrance ingredient and fixative in perfumery; in cosmetics/personal care it may function as an emollient ester and contribute to formulation stability; in coatings and inks it can act as a surfactant or dispersing additive; in household cleaning products it may serve as a surfactant or solvent component; and in industrial manufacturing it can be used as an intermediate in organic synthesis or as a processing aid in specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 811.43
    methanol 1170.21
    isopropanol 475.51
    water 0.24
    ethyl acetate 495.62
    n-propanol 493.32
    acetone 607.61
    n-butanol 474.29
    acetonitrile 203.68
    DMF 643.0
    toluene 172.93
    isobutanol 339.42
    1,4-dioxane 575.74
    methyl acetate 328.99
    THF 1176.41
    2-butanone 501.41
    n-pentanol 351.98
    sec-butanol 429.14
    n-hexane 9.35
    ethylene glycol 42.21
    NMP 792.04
    cyclohexane 40.68
    DMSO 898.75
    n-butyl acetate 332.72
    n-octanol 89.88
    chloroform 710.8
    n-propyl acetate 332.42
    acetic acid 572.99
    dichloromethane 715.17
    cyclohexanone 938.2
    propylene glycol 115.36
    isopropyl acetate 360.98
    DMAc 861.28
    2-ethoxyethanol 495.27
    isopentanol 405.2
    n-heptane 4.75
    ethyl formate 299.22
    1,2-dichloroethane 557.08
    n-hexanol 218.29
    2-methoxyethanol 726.3
    isobutyl acetate 217.9
    tetrachloromethane 78.74
    n-pentyl acetate 257.77
    transcutol 1268.04
    n-heptanol 109.52
    ethylbenzene 95.65
    MIBK 310.82
    2-propoxyethanol 389.36
    tert-butanol 464.5
    MTBE 347.57
    2-butoxyethanol 291.16
    propionic acid 282.76
    o-xylene 125.11
    formic acid 162.4
    diethyl ether 268.58
    m-xylene 114.65
    p-xylene 131.15
    chlorobenzene 262.82
    dimethyl carbonate 95.01
    n-octane 3.76
    formamide 255.23
    cyclopentanone 851.98
    2-pentanone 464.77
    anisole 202.07
    cyclopentyl methyl ether 404.91
    gamma-butyrolactone 801.95
    1-methoxy-2-propanol 537.6
    pyridine 526.99
    3-pentanone 262.94
    furfural 637.91
    n-dodecane 3.56
    diethylene glycol 238.01
    diisopropyl ether 72.29
    tert-amyl alcohol 435.26
    acetylacetone 520.98
    n-hexadecane 4.18
    acetophenone 260.44
    methyl propionate 286.73
    isopentyl acetate 339.36
    trichloroethylene 916.68
    n-nonanol 84.08
    cyclohexanol 426.64
    benzyl alcohol 252.68
    2-ethylhexanol 119.91
    isooctanol 94.34
    dipropyl ether 85.95
    1,2-dichlorobenzene 222.27
    ethyl lactate 143.79
    propylene carbonate 491.75
    n-methylformamide 327.58
    2-pentanol 267.4
    n-pentane 9.4
    1-propoxy-2-propanol 272.58
    1-methoxy-2-propyl acetate 326.2
    2-(2-methoxypropoxy) propanol 220.46
    mesitylene 68.98
    ε-caprolactone 756.43
    p-cymene 51.24
    epichlorohydrin 914.55
    1,1,1-trichloroethane 382.14
    2-aminoethanol 166.3
    morpholine-4-carbaldehyde 650.27
    sulfolane 833.19
    2,2,4-trimethylpentane 13.11
    2-methyltetrahydrofuran 808.43
    n-hexyl acetate 269.84
    isooctane 7.26
    2-(2-butoxyethoxy)ethanol 363.4
    sec-butyl acetate 244.65
    tert-butyl acetate 347.25
    decalin 21.33
    glycerin 138.75
    diglyme 701.76
    acrylic acid 208.22
    isopropyl myristate 72.87
    n-butyric acid 672.92
    acetyl acetate 264.0
    di(2-ethylhexyl) phthalate 96.37
    ethyl propionate 237.97
    nitromethane 702.56
    1,2-diethoxyethane 338.66
    benzonitrile 240.76
    trioctyl phosphate 63.52
    1-bromopropane 263.06
    gamma-valerolactone 1187.66
    n-decanol 53.95
    triethyl phosphate 90.47
    4-methyl-2-pentanol 147.78
    propionitrile 200.18
    vinylene carbonate 345.03
    1,1,2-trichlorotrifluoroethane 550.09
    DMS 183.26
    cumene 65.72
    2-octanol 74.65
    2-hexanone 304.45
    octyl acetate 100.22
    limonene 87.98
    1,2-dimethoxyethane 691.78
    ethyl orthosilicate 93.54
    tributyl phosphate 80.96
    diacetone alcohol 406.39
    N,N-dimethylaniline 140.61
    acrylonitrile 210.19
    aniline 243.84
    1,3-propanediol 373.52
    bromobenzene 239.33
    dibromomethane 435.86
    1,1,2,2-tetrachloroethane 802.58
    2-methyl-cyclohexyl acetate 183.89
    tetrabutyl urea 110.17
    diisobutyl methanol 64.08
    2-phenylethanol 191.88
    styrene 115.27
    dioctyl adipate 131.11
    dimethyl sulfate 161.04
    ethyl butyrate 204.9
    methyl lactate 157.54
    butyl lactate 205.11
    diethyl carbonate 117.52
    propanediol butyl ether 256.69
    triethyl orthoformate 139.92
    p-tert-butyltoluene 49.67
    methyl 4-tert-butylbenzoate 196.43
    morpholine 933.82
    tert-butylamine 209.83
    n-dodecanol 36.78
    dimethoxymethane 404.0
    ethylene carbonate 336.33
    cyrene 252.86
    2-ethoxyethyl acetate 345.35
    2-ethylhexyl acetate 242.88
    1,2,4-trichlorobenzene 269.58
    4-methylpyridine 519.41
    dibutyl ether 104.08
    2,6-dimethyl-4-heptanol 64.08
    DEF 491.3
    dimethyl isosorbide 369.48
    tetrachloroethylene 487.16
    eugenol 202.65
    triacetin 241.78
    span 80 195.77
    1,4-butanediol 148.43
    1,1-dichloroethane 443.32
    2-methyl-1-pentanol 329.49
    methyl formate 211.31
    2-methyl-1-butanol 371.23
    n-decane 6.32
    butyronitrile 293.12
    3,7-dimethyl-1-octanol 102.54
    1-chlorooctane 50.95
    1-chlorotetradecane 15.76
    n-nonane 5.29
    undecane 4.48
    tert-butylcyclohexane 15.99
    cyclooctane 8.07
    cyclopentanol 417.72
    tetrahydropyran 772.17
    tert-amyl methyl ether 257.59
    2,5,8-trioxanonane 391.96
    1-hexene 72.9
    2-isopropoxyethanol 339.29
    2,2,2-trifluoroethanol 133.84
    methyl butyrate 394.48

    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