Methyl 2,6,10-trimethylundecanoate

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  • Identifiers

    CAS number
    1001-79-2

    Molecular formula
    C15H30O2

    SMILES
    CC(C)CCCC(C)CCCC(C)C(=O)OC

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  • Odor profile

    Fragrance
    Floral 64.86%
    Waxy 60.24%
    Oily 49.65%
    Fruity 48.37%
    Woody 46.3%
    Green 44.41%
    Rose 43.92%
    Sweet 42.96%
    Herbal 41.95%
    Fatty 40.39%

     

    Flavor
    Waxy 36.46%
    Oily 33.6%
    Floral 26.37%
    Mild 25.84%
    Delicate 24.11%
    Leathery 23.06%
    Bland 22.2%
    Beer 21.86%
    Yeasty 21.84%
    Slightly waxy 21.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    8.19 (weak base)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    268°C

    Flash point

    • 115.2 ˚C est.

  • Synonyms

    • Methyl 2,6,10-trimethylundecanoate
    • Undecanoic acid, 2,6,10-trimethyl-, methyl ester
    • DTXSID20905205
    • RefChem:157230
    • DTXCID401334313
    • CSPZQWRFIYFDHS-UHFFFAOYSA-N
    • 1001-79-2
    • 2,6,10-Trimethylundecanoic acid methyl ester
    • 1001-79-2

  • Applications

    Methyl 2,6,10-trimethylundecanoate (CAS number: 1001-79-2) is commonly used in perfumery as a fragrance ingredient and fixative for perfumes and scented products; in cosmetics and personal care it may serve as a fragrance component or a mild solvent. In household products, this ester is used as a fragrance ingredient and solvent in cleaners, air fresheners, and other odor-enhanced formulations. In industrial settings, it can function as a fragrance synthesis intermediate and as a fragrance carrier or solvent in coatings/inks and related processing. Applications should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6378.19
    methanol 4640.25
    isopropanol 6111.43
    water 0.07
    ethyl acetate 7695.18
    n-propanol 5554.31
    acetone 5972.26
    n-butanol 5065.87
    acetonitrile 3562.33
    DMF 2810.28
    toluene 2031.13
    isobutanol 3940.26
    1,4-dioxane 7284.92
    methyl acetate 3679.49
    THF 8662.48
    2-butanone 5577.81
    n-pentanol 3725.58
    sec-butanol 5372.11
    n-hexane 1289.69
    ethylene glycol 124.1
    NMP 1992.18
    cyclohexane 1660.78
    DMSO 2591.05
    n-butyl acetate 5716.04
    n-octanol 1245.46
    chloroform 7403.16
    n-propyl acetate 5080.54
    acetic acid 2025.34
    dichloromethane 6775.12
    cyclohexanone 6796.52
    propylene glycol 470.34
    isopropyl acetate 5012.9
    DMAc 2080.32
    2-ethoxyethanol 3878.24
    isopentanol 4740.29
    n-heptane 470.42
    ethyl formate 2794.79
    1,2-dichloroethane 4905.56
    n-hexanol 3467.31
    2-methoxyethanol 4751.83
    isobutyl acetate 2713.54
    tetrachloromethane 1626.1
    n-pentyl acetate 2927.4
    transcutol 9110.28
    n-heptanol 1359.09
    ethylbenzene 1255.14
    MIBK 3264.19
    2-propoxyethanol 4083.31
    tert-butanol 6953.48
    MTBE 9176.5
    2-butoxyethanol 2269.82
    propionic acid 1824.62
    o-xylene 1150.07
    formic acid 316.42
    diethyl ether 9146.69
    m-xylene 1348.58
    p-xylene 1595.66
    chlorobenzene 2350.01
    dimethyl carbonate 498.67
    n-octane 166.26
    formamide 624.3
    cyclopentanone 4688.03
    2-pentanone 5756.05
    anisole 2119.98
    cyclopentyl methyl ether 5299.51
    gamma-butyrolactone 4079.77
    1-methoxy-2-propanol 3968.36
    pyridine 4272.96
    3-pentanone 3059.65
    furfural 2899.65
    n-dodecane 70.16
    diethylene glycol 1244.67
    diisopropyl ether 2457.36
    tert-amyl alcohol 5809.3
    acetylacetone 3489.53
    n-hexadecane 87.02
    acetophenone 1606.26
    methyl propionate 2988.06
    isopentyl acetate 4704.63
    trichloroethylene 7083.03
    n-nonanol 1000.59
    cyclohexanol 4231.4
    benzyl alcohol 1471.5
    2-ethylhexanol 2300.08
    isooctanol 1295.54
    dipropyl ether 3487.98
    1,2-dichlorobenzene 1919.31
    ethyl lactate 921.8
    propylene carbonate 2405.78
    n-methylformamide 1669.0
    2-pentanol 4172.03
    n-pentane 747.85
    1-propoxy-2-propanol 3771.1
    1-methoxy-2-propyl acetate 3430.19
    2-(2-methoxypropoxy) propanol 1401.78
    mesitylene 872.85
    ε-caprolactone 5444.79
    p-cymene 721.11
    epichlorohydrin 6067.65
    1,1,1-trichloroethane 5606.55
    2-aminoethanol 803.23
    morpholine-4-carbaldehyde 3212.75
    sulfolane 3027.11
    2,2,4-trimethylpentane 380.65
    2-methyltetrahydrofuran 9296.28
    n-hexyl acetate 3060.12
    isooctane 321.54
    2-(2-butoxyethoxy)ethanol 2275.38
    sec-butyl acetate 3683.11
    tert-butyl acetate 4483.63
    decalin 534.75
    glycerin 422.17
    diglyme 4449.87
    acrylic acid 815.86
    isopropyl myristate 817.84
    n-butyric acid 5077.64
    acetyl acetate 2523.91
    di(2-ethylhexyl) phthalate 603.19
    ethyl propionate 3617.52
    nitromethane 3312.02
    1,2-diethoxyethane 5262.92
    benzonitrile 2127.93
    trioctyl phosphate 470.52
    1-bromopropane 4537.07
    gamma-valerolactone 6592.44
    n-decanol 616.6
    triethyl phosphate 770.22
    4-methyl-2-pentanol 2152.21
    propionitrile 3645.22
    vinylene carbonate 1832.04
    1,1,2-trichlorotrifluoroethane 2477.73
    DMS 1174.67
    cumene 800.52
    2-octanol 1210.13
    2-hexanone 4450.26
    octyl acetate 988.46
    limonene 1364.41
    1,2-dimethoxyethane 6770.37
    ethyl orthosilicate 901.74
    tributyl phosphate 648.56
    diacetone alcohol 3283.95
    N,N-dimethylaniline 1130.16
    acrylonitrile 2368.64
    aniline 2125.3
    1,3-propanediol 1864.32
    bromobenzene 2508.97
    dibromomethane 5234.89
    1,1,2,2-tetrachloroethane 6076.85
    2-methyl-cyclohexyl acetate 1833.98
    tetrabutyl urea 715.86
    diisobutyl methanol 1190.7
    2-phenylethanol 1496.11
    styrene 1547.02
    dioctyl adipate 1048.17
    dimethyl sulfate 599.74
    ethyl butyrate 3420.42
    methyl lactate 701.5
    butyl lactate 1466.36
    diethyl carbonate 1512.9
    propanediol butyl ether 1483.73
    triethyl orthoformate 1967.77
    p-tert-butyltoluene 685.94
    methyl 4-tert-butylbenzoate 1186.15
    morpholine 10398.46
    tert-butylamine 4670.16
    n-dodecanol 409.62
    dimethoxymethane 2799.74
    ethylene carbonate 1958.76
    cyrene 1007.94
    2-ethoxyethyl acetate 3020.54
    2-ethylhexyl acetate 3404.1
    1,2,4-trichlorobenzene 2044.5
    4-methylpyridine 4793.76
    dibutyl ether 2681.72
    2,6-dimethyl-4-heptanol 1190.7
    DEF 4587.73
    dimethyl isosorbide 2194.14
    tetrachloroethylene 3808.55
    eugenol 1081.23
    triacetin 1603.46
    span 80 1336.03
    1,4-butanediol 728.63
    1,1-dichloroethane 6286.29
    2-methyl-1-pentanol 3468.67
    methyl formate 941.47
    2-methyl-1-butanol 3989.43
    n-decane 185.48
    butyronitrile 5429.85
    3,7-dimethyl-1-octanol 1462.54
    1-chlorooctane 990.27
    1-chlorotetradecane 250.3
    n-nonane 202.73
    undecane 104.43
    tert-butylcyclohexane 511.59
    cyclooctane 416.51
    cyclopentanol 3328.8
    tetrahydropyran 11953.06
    tert-amyl methyl ether 4844.62
    2,5,8-trioxanonane 2126.35
    1-hexene 3816.56
    2-isopropoxyethanol 2935.61
    2,2,2-trifluoroethanol 417.64
    methyl butyrate 5153.65

    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