2-Undecanol acetate

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  • Identifiers

    CAS number
    14936-67-5

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCC(C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1443.0

  • Odor profile

    Fruity 75.97%
    Waxy 68.91%
    Floral 65.48%
    Citrus 60.31%
    Fatty 58.28%
    Fresh 52.76%
    Rose 50.33%
    Oily 46.93%
    Sweet 41.81%
    Herbal 41.39%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    105.44 ˚C

  • Synonyms

    • 1-Methyldecyl acetate
    • undecan-2-yl acetate
    • 2-Undecanol, acetate
    • 14936-67-5
    • 2-Undecanol acetate
    • 2-Undecanol, 2-acetate
    • 2-Undecyl acetate
    • 2W9934TR9G
    • EINECS 239-011-2
    • 2-UNDECANYL ACETATE
    • (+/-)-2-acetoxyundecane
    • AI3-35685
    • DTXSID90884775
    • (+/-)-2-UNDECANOL ACETATE
    • 2-UNDECANOL ACETATE, (+/-)-
    • SCHEMBL316946
    • UNII-2W9934TR9G
    • DTXCID501024199
    • NS00012878
    • Q27255703

  • Applications

    2-Undecanol acetate (CAS 14936-67-5) is a fruity, green-sweet ester used as a flavor and fragrance ingredient in perfumes, personal care and household products, and at low levels in food formulations; it also serves as an intermediate for organic synthesis and catalysis/biocatalysis studies (e.g., a substrate for lipase-catalyzed hydrolysis or transesterification), as a GC/LC reference standard and model odorant in olfactory research, and as a component investigated in insect-pheromone blends for trapping and monitoring in crop protection.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5205.63
    methanol 4698.41
    isopropanol 5413.04
    water 0.08
    ethyl acetate 4659.99
    n-propanol 4605.4
    acetone 7591.88
    n-butanol 4060.79
    acetonitrile 3611.17
    DMF 4452.12
    toluene 1946.15
    isobutanol 3876.6
    1,4-dioxane 5368.4
    methyl acetate 3304.94
    THF 8919.66
    2-butanone 5292.81
    n-pentanol 2921.87
    sec-butanol 4540.36
    n-hexane 2756.49
    ethylene glycol 262.39
    NMP 3763.33
    cyclohexane 2638.55
    DMSO 4914.3
    n-butyl acetate 3970.47
    n-octanol 1144.28
    chloroform 7586.16
    n-propyl acetate 3332.23
    acetic acid 2088.28
    dichloromethane 6657.21
    cyclohexanone 8046.23
    propylene glycol 677.68
    isopropyl acetate 3413.05
    DMAc 3236.3
    2-ethoxyethanol 2557.63
    isopentanol 3817.09
    n-heptane 731.26
    ethyl formate 1988.55
    1,2-dichloroethane 4851.01
    n-hexanol 2943.37
    2-methoxyethanol 3849.63
    isobutyl acetate 2036.31
    tetrachloromethane 1464.99
    n-pentyl acetate 2280.74
    transcutol 6602.67
    n-heptanol 999.61
    ethylbenzene 1068.43
    MIBK 2840.28
    2-propoxyethanol 3140.44
    tert-butanol 6343.45
    MTBE 7183.23
    2-butoxyethanol 1594.04
    propionic acid 2290.02
    o-xylene 1069.12
    formic acid 363.62
    diethyl ether 7310.63
    m-xylene 1221.38
    p-xylene 1379.38
    chlorobenzene 2273.84
    dimethyl carbonate 588.25
    n-octane 225.58
    formamide 601.5
    cyclopentanone 5922.32
    2-pentanone 4921.03
    anisole 1598.87
    cyclopentyl methyl ether 5884.61
    gamma-butyrolactone 4864.04
    1-methoxy-2-propanol 3345.28
    pyridine 4302.93
    3-pentanone 2989.62
    furfural 2882.61
    n-dodecane 122.75
    diethylene glycol 1227.57
    diisopropyl ether 2024.86
    tert-amyl alcohol 4881.13
    acetylacetone 3440.56
    n-hexadecane 151.55
    acetophenone 1350.6
    methyl propionate 2756.69
    isopentyl acetate 3382.78
    trichloroethylene 6259.88
    n-nonanol 954.46
    cyclohexanol 4655.13
    benzyl alcohol 1187.51
    2-ethylhexanol 1964.39
    isooctanol 903.95
    dipropyl ether 3128.8
    1,2-dichlorobenzene 1832.0
    ethyl lactate 799.72
    propylene carbonate 2441.33
    n-methylformamide 1907.32
    2-pentanol 3305.0
    n-pentane 1289.55
    1-propoxy-2-propanol 2854.08
    1-methoxy-2-propyl acetate 2538.38
    2-(2-methoxypropoxy) propanol 1282.8
    mesitylene 867.94
    ε-caprolactone 5268.45
    p-cymene 606.34
    epichlorohydrin 5469.68
    1,1,1-trichloroethane 5203.33
    2-aminoethanol 1033.86
    morpholine-4-carbaldehyde 3316.56
    sulfolane 5178.92
    2,2,4-trimethylpentane 423.76
    2-methyltetrahydrofuran 8929.85
    n-hexyl acetate 2920.34
    isooctane 316.89
    2-(2-butoxyethoxy)ethanol 1820.79
    sec-butyl acetate 2313.37
    tert-butyl acetate 3627.69
    decalin 771.05
    glycerin 638.81
    diglyme 3474.14
    acrylic acid 1185.24
    isopropyl myristate 891.48
    n-butyric acid 4222.75
    acetyl acetate 1941.66
    di(2-ethylhexyl) phthalate 634.69
    ethyl propionate 2557.24
    nitromethane 3475.67
    1,2-diethoxyethane 3599.99
    benzonitrile 1843.79
    trioctyl phosphate 509.55
    1-bromopropane 5007.29
    gamma-valerolactone 6230.19
    n-decanol 622.69
    triethyl phosphate 726.75
    4-methyl-2-pentanol 1608.81
    propionitrile 3219.09
    vinylene carbonate 1877.91
    1,1,2-trichlorotrifluoroethane 2858.2
    DMS 1338.79
    cumene 700.1
    2-octanol 894.28
    2-hexanone 3760.98
    octyl acetate 1056.98
    limonene 1364.51
    1,2-dimethoxyethane 5296.66
    ethyl orthosilicate 796.56
    tributyl phosphate 715.75
    diacetone alcohol 2713.43
    N,N-dimethylaniline 1058.43
    acrylonitrile 2697.96
    aniline 2114.99
    1,3-propanediol 1713.43
    bromobenzene 2639.34
    dibromomethane 5479.56
    1,1,2,2-tetrachloroethane 6060.36
    2-methyl-cyclohexyl acetate 1603.42
    tetrabutyl urea 925.11
    diisobutyl methanol 967.81
    2-phenylethanol 1229.79
    styrene 1387.75
    dioctyl adipate 1207.39
    dimethyl sulfate 951.39
    ethyl butyrate 2377.21
    methyl lactate 797.78
    butyl lactate 1267.72
    diethyl carbonate 1119.92
    propanediol butyl ether 1327.18
    triethyl orthoformate 1493.7
    p-tert-butyltoluene 601.84
    methyl 4-tert-butylbenzoate 1120.22
    morpholine 8079.02
    tert-butylamine 4278.33
    n-dodecanol 445.07
    dimethoxymethane 2786.05
    ethylene carbonate 2024.96
    cyrene 1001.97
    2-ethoxyethyl acetate 2148.79
    2-ethylhexyl acetate 2612.67
    1,2,4-trichlorobenzene 2023.43
    4-methylpyridine 4401.44
    dibutyl ether 2763.01
    2,6-dimethyl-4-heptanol 967.81
    DEF 4366.71
    dimethyl isosorbide 2142.43
    tetrachloroethylene 3846.64
    eugenol 933.88
    triacetin 1706.62
    span 80 1400.59
    1,4-butanediol 671.35
    1,1-dichloroethane 6011.5
    2-methyl-1-pentanol 2522.65
    methyl formate 1078.78
    2-methyl-1-butanol 3497.69
    n-decane 275.67
    butyronitrile 4122.84
    3,7-dimethyl-1-octanol 1269.12
    1-chlorooctane 1116.44
    1-chlorotetradecane 341.95
    n-nonane 313.02
    undecane 173.64
    tert-butylcyclohexane 664.92
    cyclooctane 636.87
    cyclopentanol 4599.82
    tetrahydropyran 10870.0
    tert-amyl methyl ether 4320.65
    2,5,8-trioxanonane 1974.23
    1-hexene 5686.36
    2-isopropoxyethanol 2130.77
    2,2,2-trifluoroethanol 501.72
    methyl butyrate 3655.09

    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
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.2%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 1.85%
Rue (Spain) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.28%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 2.73%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 3.04%
Ruta chalepensis (Greece) Ruta chalepensis L., fam. Rutaceae 4.2%
Ruta chalepensis (Iran) Ruta chalepensis L., fam. Rutaceae 2.6%