Methyl 2,8-dimethylundecanoate

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  • Identifiers

    CAS number
    55955-74-3

    Molecular formula
    C14H28O2

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

  • Odor profile

    Waxy 64.75%
    Oily 56.95%
    Fatty 56.78%
    Floral 53.43%
    Fruity 52.61%
    Sweet 40.99%
    Green 39.27%
    Rose 38.46%
    Herbal 37.88%
    Woody 34.68%

    Scent© AI

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    8.23 (weak base)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point est.
    107.81 ˚C

  • Synonyms

    • Methyl 2,8-dimethylundecanoate
    • 55955-74-3
    • Undecanoic acid, 2,8-dimethyl-, methyl ester
    • DTXSID30339971
    • 2,8-Dimethylundecanoic acid methyl ester
    • DTXCID00291052
    • Methyl 2,8-dimethylundecanoate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15828.46
    methanol 14293.87
    isopropanol 15185.06
    water 0.09
    ethyl acetate 17682.2
    n-propanol 12837.89
    acetone 17655.82
    n-butanol 10729.89
    acetonitrile 11462.92
    DMF 7541.21
    toluene 3461.6
    isobutanol 9078.91
    1,4-dioxane 14787.02
    methyl acetate 9123.91
    THF 17157.43
    2-butanone 13209.57
    n-pentanol 7269.55
    sec-butanol 11259.32
    n-hexane 1709.76
    ethylene glycol 308.8
    NMP 3883.09
    cyclohexane 2708.58
    DMSO 6608.82
    n-butyl acetate 10811.61
    n-octanol 1910.6
    chloroform 13776.13
    n-propyl acetate 10393.83
    acetic acid 4295.67
    dichloromethane 13992.93
    cyclohexanone 14611.75
    propylene glycol 973.11
    isopropyl acetate 10136.89
    DMAc 4344.47
    2-ethoxyethanol 7735.01
    isopentanol 9674.85
    n-heptane 594.01
    ethyl formate 6591.03
    1,2-dichloroethane 11112.43
    n-hexanol 5732.7
    2-methoxyethanol 11089.21
    isobutyl acetate 5011.66
    tetrachloromethane 2767.04
    n-pentyl acetate 5349.79
    transcutol 15929.85
    n-heptanol 2114.55
    ethylbenzene 1841.16
    MIBK 6524.05
    2-propoxyethanol 7606.29
    tert-butanol 16128.07
    MTBE 20442.91
    2-butoxyethanol 3829.3
    propionic acid 4214.74
    o-xylene 1808.11
    formic acid 674.73
    diethyl ether 21889.96
    m-xylene 2089.53
    p-xylene 2177.86
    chlorobenzene 3906.53
    dimethyl carbonate 1030.58
    n-octane 234.36
    formamide 1463.63
    cyclopentanone 10221.19
    2-pentanone 13163.91
    anisole 3324.85
    cyclopentyl methyl ether 10113.08
    gamma-butyrolactone 8575.08
    1-methoxy-2-propanol 8568.62
    pyridine 8830.9
    3-pentanone 6756.01
    furfural 5204.68
    n-dodecane 107.55
    diethylene glycol 2342.12
    diisopropyl ether 4686.1
    tert-amyl alcohol 11493.85
    acetylacetone 7612.35
    n-hexadecane 134.39
    acetophenone 2494.39
    methyl propionate 7012.39
    isopentyl acetate 8661.22
    trichloroethylene 13771.76
    n-nonanol 1507.19
    cyclohexanol 8575.45
    benzyl alcohol 2285.51
    2-ethylhexanol 3458.04
    isooctanol 1938.75
    dipropyl ether 6174.97
    1,2-dichlorobenzene 3082.82
    ethyl lactate 1464.63
    propylene carbonate 4280.55
    n-methylformamide 4578.7
    2-pentanol 8320.53
    n-pentane 1257.98
    1-propoxy-2-propanol 6582.85
    1-methoxy-2-propyl acetate 6137.66
    2-(2-methoxypropoxy) propanol 1957.01
    mesitylene 1293.01
    ε-caprolactone 10683.71
    p-cymene 972.3
    epichlorohydrin 12504.65
    1,1,1-trichloroethane 10381.1
    2-aminoethanol 1933.33
    morpholine-4-carbaldehyde 5649.73
    sulfolane 5845.41
    2,2,4-trimethylpentane 531.1
    2-methyltetrahydrofuran 18097.8
    n-hexyl acetate 5155.77
    isooctane 461.14
    2-(2-butoxyethoxy)ethanol 3358.44
    sec-butyl acetate 6748.57
    tert-butyl acetate 8878.18
    decalin 723.01
    glycerin 806.54
    diglyme 7427.78
    acrylic acid 1828.56
    isopropyl myristate 1270.5
    n-butyric acid 10579.33
    acetyl acetate 4944.77
    di(2-ethylhexyl) phthalate 814.67
    ethyl propionate 6979.21
    nitromethane 8599.11
    1,2-diethoxyethane 10143.4
    benzonitrile 3753.85
    trioctyl phosphate 670.34
    1-bromopropane 9718.14
    gamma-valerolactone 13493.85
    n-decanol 888.34
    triethyl phosphate 1080.27
    4-methyl-2-pentanol 3787.41
    propionitrile 9527.69
    vinylene carbonate 3421.23
    1,1,2-trichlorotrifluoroethane 4573.64
    DMS 2046.58
    cumene 1079.37
    2-octanol 1726.29
    2-hexanone 8473.7
    octyl acetate 1539.49
    limonene 1987.9
    1,2-dimethoxyethane 14147.57
    ethyl orthosilicate 1259.88
    tributyl phosphate 947.69
    diacetone alcohol 5892.16
    N,N-dimethylaniline 1629.16
    acrylonitrile 6516.83
    aniline 3882.63
    1,3-propanediol 4155.91
    bromobenzene 4251.76
    dibromomethane 10588.35
    1,1,2,2-tetrachloroethane 10930.22
    2-methyl-cyclohexyl acetate 2594.29
    tetrabutyl urea 1088.01
    diisobutyl methanol 1740.96
    2-phenylethanol 2248.72
    styrene 2406.2
    dioctyl adipate 1547.48
    dimethyl sulfate 1174.89
    ethyl butyrate 6187.24
    methyl lactate 1324.83
    butyl lactate 2340.96
    diethyl carbonate 2476.6
    propanediol butyl ether 2240.67
    triethyl orthoformate 3032.34
    p-tert-butyltoluene 904.61
    methyl 4-tert-butylbenzoate 1697.3
    morpholine 22324.46
    tert-butylamine 9904.37
    n-dodecanol 581.53
    dimethoxymethane 6637.53
    ethylene carbonate 3825.86
    cyrene 1373.92
    2-ethoxyethyl acetate 5506.87
    2-ethylhexyl acetate 5820.35
    1,2,4-trichlorobenzene 3155.21
    4-methylpyridine 9688.39
    dibutyl ether 4683.14
    2,6-dimethyl-4-heptanol 1740.96
    DEF 10487.28
    dimethyl isosorbide 3189.47
    tetrachloroethylene 7223.07
    eugenol 1525.89
    triacetin 2299.98
    span 80 1838.28
    1,4-butanediol 1397.49
    1,1-dichloroethane 14130.53
    2-methyl-1-pentanol 6066.77
    methyl formate 2478.91
    2-methyl-1-butanol 8144.7
    n-decane 275.45
    butyronitrile 12901.8
    3,7-dimethyl-1-octanol 2094.01
    1-chlorooctane 1516.43
    1-chlorotetradecane 368.54
    n-nonane 299.56
    undecane 158.44
    tert-butylcyclohexane 692.62
    cyclooctane 569.17
    cyclopentanol 6853.12
    tetrahydropyran 25477.15
    tert-amyl methyl ether 9737.15
    2,5,8-trioxanonane 3272.03
    1-hexene 6553.72
    2-isopropoxyethanol 5609.76
    2,2,2-trifluoroethanol 822.81
    methyl butyrate 10382.18

    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
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.75%