Undecanoic acid, 2,4,6-trimethyl-, methyl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    55955-76-5

    Molecular formula
    C15H30O2

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

  • Odor profile

    Floral 63.75%
    Waxy 58.29%
    Fruity 52.18%
    Green 49.59%
    Oily 46.45%
    Fatty 44.31%
    Citrus 42.05%
    Herbal 41.3%
    Rose 40.8%
    Sweet 39.89%

    Scent© AI

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    8.28 (weak base)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point est.
    114.71 ˚C

  • Synonyms

    • 55955-76-5
    • 2,4,6-Trimethylundecanoic acid methyl ester
    • Undecanoic acid, 2,4,6-trimethyl-, methyl ester
    • AWXGLEYOZFJHAH-UHFFFAOYSA-N
    • Methyl 2,4,6-trimethylundecanoate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14425.37
    methanol 13806.91
    isopropanol 13244.68
    water 0.14
    ethyl acetate 12630.25
    n-propanol 11382.64
    acetone 12550.34
    n-butanol 10471.77
    acetonitrile 7588.91
    DMF 6486.7
    toluene 3371.27
    isobutanol 8249.2
    1,4-dioxane 11909.31
    methyl acetate 6182.1
    THF 14744.91
    2-butanone 9185.7
    n-pentanol 7034.69
    sec-butanol 10296.82
    n-hexane 1840.4
    ethylene glycol 349.72
    NMP 3410.04
    cyclohexane 2503.43
    DMSO 5049.55
    n-butyl acetate 9877.93
    n-octanol 1874.47
    chloroform 11192.68
    n-propyl acetate 7693.67
    acetic acid 4064.68
    dichloromethane 10438.32
    cyclohexanone 11187.26
    propylene glycol 1010.52
    isopropyl acetate 8390.49
    DMAc 3580.7
    2-ethoxyethanol 6453.87
    isopentanol 8912.07
    n-heptane 672.27
    ethyl formate 5113.8
    1,2-dichloroethane 8105.64
    n-hexanol 6501.55
    2-methoxyethanol 9480.12
    isobutyl acetate 4073.3
    tetrachloromethane 2378.72
    n-pentyl acetate 4473.55
    transcutol 12330.86
    n-heptanol 2216.79
    ethylbenzene 1819.2
    MIBK 5524.07
    2-propoxyethanol 7557.2
    tert-butanol 13318.66
    MTBE 16704.51
    2-butoxyethanol 3565.53
    propionic acid 3317.62
    o-xylene 1732.01
    formic acid 730.0
    diethyl ether 16267.58
    m-xylene 2164.37
    p-xylene 2144.61
    chlorobenzene 3545.54
    dimethyl carbonate 856.66
    n-octane 226.64
    formamide 1294.7
    cyclopentanone 8088.89
    2-pentanone 10385.86
    anisole 2969.44
    cyclopentyl methyl ether 9066.3
    gamma-butyrolactone 6691.94
    1-methoxy-2-propanol 7221.72
    pyridine 6918.26
    3-pentanone 5049.25
    furfural 4447.62
    n-dodecane 97.05
    diethylene glycol 2325.03
    diisopropyl ether 4072.07
    tert-amyl alcohol 10223.81
    acetylacetone 5837.31
    n-hexadecane 119.66
    acetophenone 2189.08
    methyl propionate 5190.42
    isopentyl acetate 7868.4
    trichloroethylene 10864.29
    n-nonanol 1482.12
    cyclohexanol 7597.06
    benzyl alcohol 2262.49
    2-ethylhexanol 3758.6
    isooctanol 1963.91
    dipropyl ether 5391.51
    1,2-dichlorobenzene 2646.64
    ethyl lactate 1272.5
    propylene carbonate 3741.53
    n-methylformamide 3878.0
    2-pentanol 7990.87
    n-pentane 1338.19
    1-propoxy-2-propanol 6388.74
    1-methoxy-2-propyl acetate 5462.03
    2-(2-methoxypropoxy) propanol 1766.04
    mesitylene 1300.0
    ε-caprolactone 8471.07
    p-cymene 1011.66
    epichlorohydrin 9672.65
    1,1,1-trichloroethane 8181.51
    2-aminoethanol 1902.87
    morpholine-4-carbaldehyde 4928.47
    sulfolane 4607.04
    2,2,4-trimethylpentane 564.49
    2-methyltetrahydrofuran 14947.69
    n-hexyl acetate 4559.42
    isooctane 491.37
    2-(2-butoxyethoxy)ethanol 2968.89
    sec-butyl acetate 5383.26
    tert-butyl acetate 7319.81
    decalin 697.44
    glycerin 796.2
    diglyme 6002.94
    acrylic acid 1500.66
    isopropyl myristate 1081.8
    n-butyric acid 8925.73
    acetyl acetate 3968.69
    di(2-ethylhexyl) phthalate 804.01
    ethyl propionate 5329.92
    nitromethane 6393.15
    1,2-diethoxyethane 7599.2
    benzonitrile 3430.38
    trioctyl phosphate 636.35
    1-bromopropane 7487.32
    gamma-valerolactone 10794.93
    n-decanol 868.28
    triethyl phosphate 927.6
    4-methyl-2-pentanol 3694.1
    propionitrile 7148.85
    vinylene carbonate 2799.1
    1,1,2-trichlorotrifluoroethane 3818.59
    DMS 1640.2
    cumene 1103.59
    2-octanol 1840.53
    2-hexanone 6904.46
    octyl acetate 1353.06
    limonene 2016.24
    1,2-dimethoxyethane 11006.89
    ethyl orthosilicate 1144.99
    tributyl phosphate 862.97
    diacetone alcohol 5159.6
    N,N-dimethylaniline 1539.42
    acrylonitrile 4887.88
    aniline 3575.22
    1,3-propanediol 3941.37
    bromobenzene 3790.63
    dibromomethane 8108.47
    1,1,2,2-tetrachloroethane 8671.01
    2-methyl-cyclohexyl acetate 2291.34
    tetrabutyl urea 990.83
    diisobutyl methanol 1804.86
    2-phenylethanol 2376.76
    styrene 2282.78
    dioctyl adipate 1304.95
    dimethyl sulfate 948.83
    ethyl butyrate 4932.26
    methyl lactate 1139.97
    butyl lactate 2096.89
    diethyl carbonate 1949.87
    propanediol butyl ether 2166.95
    triethyl orthoformate 2597.56
    p-tert-butyltoluene 948.34
    methyl 4-tert-butylbenzoate 1513.57
    morpholine 17385.95
    tert-butylamine 8513.83
    n-dodecanol 564.58
    dimethoxymethane 5742.33
    ethylene carbonate 3158.75
    cyrene 1271.34
    2-ethoxyethyl acetate 4562.42
    2-ethylhexyl acetate 5449.03
    1,2,4-trichlorobenzene 2766.78
    4-methylpyridine 7998.9
    dibutyl ether 3741.72
    2,6-dimethyl-4-heptanol 1804.86
    DEF 8083.74
    dimethyl isosorbide 2721.3
    tetrachloroethylene 5585.77
    eugenol 1415.66
    triacetin 1966.23
    span 80 1689.7
    1,4-butanediol 1461.73
    1,1-dichloroethane 10128.94
    2-methyl-1-pentanol 6000.76
    methyl formate 2141.11
    2-methyl-1-butanol 7808.84
    n-decane 257.5
    butyronitrile 10761.17
    3,7-dimethyl-1-octanol 2127.96
    1-chlorooctane 1415.77
    1-chlorotetradecane 339.92
    n-nonane 281.13
    undecane 142.49
    tert-butylcyclohexane 684.29
    cyclooctane 578.08
    cyclopentanol 6302.21
    tetrahydropyran 20071.33
    tert-amyl methyl ether 7980.02
    2,5,8-trioxanonane 2700.83
    1-hexene 6030.81
    2-isopropoxyethanol 4707.4
    2,2,2-trifluoroethanol 763.02
    methyl butyrate 7835.86

    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

Botanical

Name CAS Botanical Proportion
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.08%