Undecyl butyrate

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  • Identifiers

    CAS number
    5461-02-9

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCCOC(=O)CCC

  • Odor profile

    Fruity 81.37%
    Oily 70.27%
    Fatty 67.47%
    Waxy 63.16%
    Winey 54.32%
    Sweet 52.84%
    Floral 48.78%
    Cognac 48.38%
    Rose 46.26%
    Creamy 37.61%

    Scent© AI

  • Properties

    XLogP3-AA
    5.9

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point est.
    123.24 ˚C

  • Synonyms

    • Undecyl butyrate
    • undecyl butanoate
    • Butanoic acid, undecyl ester
    • 5461-02-9
    • KBA3GUX35N
    • NSC-23555
    • 1-UNDECANOL, BUTYRATE
    • DTXSID00203039
    • WE(11:0/4:0)
    • BUTYRIC ACID, UNDECYL ESTER
    • EINECS 226-743-2
    • NSC 23555
    • UNII-KBA3GUX35N
    • SCHEMBL10149467
    • DTXCID50125530
    • CHEBI:196019
    • NSC23555
    • LMFA07010423
    • NS00044001
    • Q63392693
    • 226-743-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5707.23
    methanol 4768.93
    isopropanol 7135.93
    water 0.06
    ethyl acetate 9449.97
    n-propanol 6132.52
    acetone 13590.83
    n-butanol 5832.37
    acetonitrile 5821.97
    DMF 7479.11
    toluene 2945.31
    isobutanol 5458.76
    1,4-dioxane 7759.25
    methyl acetate 5722.31
    THF 12085.89
    2-butanone 9845.06
    n-pentanol 3960.87
    sec-butanol 6436.15
    n-hexane 3119.47
    ethylene glycol 180.66
    NMP 6119.49
    cyclohexane 5187.19
    DMSO 7846.97
    n-butyl acetate 8190.42
    n-octanol 1935.14
    chloroform 12893.48
    n-propyl acetate 8292.28
    acetic acid 3162.02
    dichloromethane 13199.32
    cyclohexanone 15756.3
    propylene glycol 566.65
    isopropyl acetate 6823.69
    DMAc 5280.94
    2-ethoxyethanol 3480.05
    isopentanol 5712.14
    n-heptane 1252.55
    ethyl formate 3985.89
    1,2-dichloroethane 10295.32
    n-hexanol 3323.59
    2-methoxyethanol 5056.91
    isobutyl acetate 4264.92
    tetrachloromethane 2734.14
    n-pentyl acetate 5729.77
    transcutol 9836.63
    n-heptanol 1685.72
    ethylbenzene 1869.9
    MIBK 5462.06
    2-propoxyethanol 3729.59
    tert-butanol 8017.34
    MTBE 10221.27
    2-butoxyethanol 2749.72
    propionic acid 3381.02
    o-xylene 1790.86
    formic acid 364.46
    diethyl ether 11325.7
    m-xylene 1842.47
    p-xylene 2679.19
    chlorobenzene 4433.32
    dimethyl carbonate 1038.09
    n-octane 468.84
    formamide 823.81
    cyclopentanone 11631.05
    2-pentanone 10237.24
    anisole 2777.24
    cyclopentyl methyl ether 8387.65
    gamma-butyrolactone 9002.54
    1-methoxy-2-propanol 4549.99
    pyridine 8327.28
    3-pentanone 5812.33
    furfural 5482.72
    n-dodecane 205.15
    diethylene glycol 1289.15
    diisopropyl ether 3211.84
    tert-amyl alcohol 6521.42
    acetylacetone 6765.86
    n-hexadecane 257.01
    acetophenone 2786.46
    methyl propionate 4988.49
    isopentyl acetate 6450.05
    trichloroethylene 13932.19
    n-nonanol 1605.8
    cyclohexanol 7373.44
    benzyl alcohol 1885.77
    2-ethylhexanol 2739.38
    isooctanol 1639.42
    dipropyl ether 5587.42
    1,2-dichlorobenzene 3774.99
    ethyl lactate 1496.21
    propylene carbonate 4769.67
    n-methylformamide 3355.25
    2-pentanol 5251.5
    n-pentane 1783.46
    1-propoxy-2-propanol 4123.2
    1-methoxy-2-propyl acetate 4172.21
    2-(2-methoxypropoxy) propanol 1719.18
    mesitylene 1332.29
    ε-caprolactone 10367.97
    p-cymene 1143.15
    epichlorohydrin 9546.21
    1,1,1-trichloroethane 10406.33
    2-aminoethanol 887.28
    morpholine-4-carbaldehyde 5319.77
    sulfolane 8718.15
    2,2,4-trimethylpentane 577.59
    2-methyltetrahydrofuran 12470.0
    n-hexyl acetate 5858.7
    isooctane 463.18
    2-(2-butoxyethoxy)ethanol 2766.04
    sec-butyl acetate 5333.86
    tert-butyl acetate 6330.39
    decalin 1179.01
    glycerin 576.87
    diglyme 5879.96
    acrylic acid 1710.49
    isopropyl myristate 1617.86
    n-butyric acid 8130.32
    acetyl acetate 3779.01
    di(2-ethylhexyl) phthalate 968.71
    ethyl propionate 5930.76
    nitromethane 6491.19
    1,2-diethoxyethane 6330.19
    benzonitrile 3627.02
    trioctyl phosphate 842.64
    1-bromopropane 9106.6
    gamma-valerolactone 11677.19
    n-decanol 971.2
    triethyl phosphate 1400.64
    4-methyl-2-pentanol 2503.03
    propionitrile 5612.38
    vinylene carbonate 3654.97
    1,1,2-trichlorotrifluoroethane 4582.52
    DMS 2330.95
    cumene 1202.32
    2-octanol 1671.47
    2-hexanone 7252.24
    octyl acetate 1914.11
    limonene 2420.32
    1,2-dimethoxyethane 8853.0
    ethyl orthosilicate 1471.12
    tributyl phosphate 1195.45
    diacetone alcohol 4373.45
    N,N-dimethylaniline 1814.21
    acrylonitrile 4631.13
    aniline 3005.98
    1,3-propanediol 2092.05
    bromobenzene 5330.02
    dibromomethane 10571.05
    1,1,2,2-tetrachloroethane 12241.34
    2-methyl-cyclohexyl acetate 2818.02
    tetrabutyl urea 1561.2
    diisobutyl methanol 1640.21
    2-phenylethanol 1775.18
    styrene 2560.69
    dioctyl adipate 2069.5
    dimethyl sulfate 1563.64
    ethyl butyrate 5584.85
    methyl lactate 1256.39
    butyl lactate 2665.36
    diethyl carbonate 2479.37
    propanediol butyl ether 2071.42
    triethyl orthoformate 3010.82
    p-tert-butyltoluene 1037.04
    methyl 4-tert-butylbenzoate 2064.68
    morpholine 11695.76
    tert-butylamine 5697.07
    n-dodecanol 689.29
    dimethoxymethane 4314.57
    ethylene carbonate 4054.68
    cyrene 1361.7
    2-ethoxyethyl acetate 4276.7
    2-ethylhexyl acetate 5013.81
    1,2,4-trichlorobenzene 3869.38
    4-methylpyridine 8230.5
    dibutyl ether 5824.43
    2,6-dimethyl-4-heptanol 1640.21
    DEF 9097.83
    dimethyl isosorbide 3024.97
    tetrachloroethylene 7899.98
    eugenol 1627.69
    triacetin 3128.16
    span 80 2013.06
    1,4-butanediol 783.51
    1,1-dichloroethane 11667.71
    2-methyl-1-pentanol 3427.91
    methyl formate 1821.08
    2-methyl-1-butanol 5022.44
    n-decane 528.61
    butyronitrile 7496.13
    3,7-dimethyl-1-octanol 1961.17
    1-chlorooctane 2192.49
    1-chlorotetradecane 593.6
    n-nonane 602.76
    undecane 299.44
    tert-butylcyclohexane 909.84
    cyclooctane 1087.73
    cyclopentanol 6617.62
    tetrahydropyran 16738.73
    tert-amyl methyl ether 5987.31
    2,5,8-trioxanonane 2904.08
    1-hexene 6953.35
    2-isopropoxyethanol 2983.02
    2,2,2-trifluoroethanol 769.93
    methyl butyrate 8966.91

    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