Dodecyl butyrate

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  • Identifiers

    CAS number
    3724-61-6

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCCCCOC(=O)CCC

  • Odor profile

    Fragrance
    Fruity 76.52%
    Oily 71.25%
    Fatty 69.55%
    Waxy 64.51%
    Sweet 49.45%
    Winey 48.8%
    Cognac 44.88%
    Floral 44.08%
    Rose 41.04%
    Creamy 38.51%

     

    Flavor
    Waxy 77.71%
    Fruity 62.71%
    Sweet 58.22%
    Oily 53.93%
    Soapy 52.7%
    Fatty 43.27%
    Floral 42.81%
    Creamy 41.7%
    Clean 41.65%
    Coconut 40.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.02 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point

    • 131.98 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Dodecyl butyrate
    • dodecyl butanoate
    • 3724-61-6
    • Butanoic acid, dodecyl ester
    • UNII-89S03I5Q3S
    • Butyric acid, dodecyl ester
    • 1-Dodecanol, butanoate
    • 89S03I5Q3S
    • n-dodecyl butyrate
    • NSC 57649
    • LAURYL BUTYRATE
    • LAURYL BUTANOATE
    • NSC-57649
    • DODECYL BUTYRATE [FHFI]
    • FEMA NO. 4340
    • DTXSID40863257
    • WE(12:0/4:0)
    • Butanoic acid, dodecylester
    • Dodecyl butyrate #
    • butanoic acid dodecyl ester
    • NCIOpen2_002339
    • SCHEMBL2891994
    • DTXCID90811905
    • CHEBI:174367
    • NSC57649
    • LMFA07010424
    • DS-010572
    • Q27270062
    • 609-370-3

  • Applications

    Dodecyl butyrate (CAS 3724-61-6) is a fragrance ingredient used primarily in perfumery and personal care; it is also evaluated for food flavor applications as an aroma component at permitted limits; in household and cleaning products, the ester contributes a long-lasting fragrance to detergents, soaps, and cleaners; in industrial manufacturing, it can be used as an intermediate in the synthesis of other fragrance esters or as a fragrance carrier in formulations; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2747.19
    methanol 2130.61
    isopropanol 3698.7
    water 0.04
    ethyl acetate 6667.4
    n-propanol 3271.73
    acetone 7643.31
    n-butanol 3417.55
    acetonitrile 3060.42
    DMF 5186.85
    toluene 2208.55
    isobutanol 3174.96
    1,4-dioxane 5261.83
    methyl acetate 3898.11
    THF 9126.23
    2-butanone 6535.56
    n-pentanol 2323.5
    sec-butanol 3681.05
    n-hexane 1836.06
    ethylene glycol 83.47
    NMP 5154.2
    cyclohexane 3867.77
    DMSO 5104.03
    n-butyl acetate 6016.35
    n-octanol 1380.37
    chloroform 9643.56
    n-propyl acetate 6223.53
    acetic acid 1808.52
    dichloromethane 9854.76
    cyclohexanone 12234.95
    propylene glycol 300.26
    isopropyl acetate 5168.36
    DMAc 4341.21
    2-ethoxyethanol 2348.61
    isopentanol 3611.48
    n-heptane 942.79
    ethyl formate 2695.16
    1,2-dichloroethane 7778.42
    n-hexanol 2034.44
    2-methoxyethanol 3139.29
    isobutyl acetate 3348.92
    tetrachloromethane 2131.16
    n-pentyl acetate 4827.69
    transcutol 7616.64
    n-heptanol 1195.22
    ethylbenzene 1458.09
    MIBK 4305.15
    2-propoxyethanol 2573.42
    tert-butanol 4680.87
    MTBE 6771.29
    2-butoxyethanol 2106.39
    propionic acid 2142.04
    o-xylene 1485.1
    formic acid 201.53
    diethyl ether 7137.62
    m-xylene 1467.35
    p-xylene 2142.35
    chlorobenzene 3407.23
    dimethyl carbonate 771.0
    n-octane 351.71
    formamide 477.72
    cyclopentanone 8991.43
    2-pentanone 7121.64
    anisole 2237.84
    cyclopentyl methyl ether 6444.78
    gamma-butyrolactone 6917.34
    1-methoxy-2-propanol 3136.12
    pyridine 6208.82
    3-pentanone 4412.83
    furfural 4361.43
    n-dodecane 157.4
    diethylene glycol 821.97
    diisopropyl ether 2332.81
    tert-amyl alcohol 4101.68
    acetylacetone 5094.34
    n-hexadecane 198.22
    acetophenone 2343.35
    methyl propionate 3672.25
    isopentyl acetate 5025.95
    trichloroethylene 10823.16
    n-nonanol 1203.62
    cyclohexanol 5066.64
    benzyl alcohol 1409.94
    2-ethylhexanol 1950.36
    isooctanol 1227.73
    dipropyl ether 4318.55
    1,2-dichlorobenzene 3119.32
    ethyl lactate 1188.84
    propylene carbonate 3819.92
    n-methylformamide 2092.48
    2-pentanol 3251.88
    n-pentane 1107.16
    1-propoxy-2-propanol 2991.23
    1-methoxy-2-propyl acetate 3384.5
    2-(2-methoxypropoxy) propanol 1407.16
    mesitylene 1082.1
    ε-caprolactone 8236.83
    p-cymene 958.95
    epichlorohydrin 7398.89
    1,1,1-trichloroethane 8001.77
    2-aminoethanol 461.72
    morpholine-4-carbaldehyde 4303.75
    sulfolane 7085.59
    2,2,4-trimethylpentane 433.62
    2-methyltetrahydrofuran 9248.45
    n-hexyl acetate 4756.29
    isooctane 331.88
    2-(2-butoxyethoxy)ethanol 2234.83
    sec-butyl acetate 4213.85
    tert-butyl acetate 5089.23
    decalin 933.57
    glycerin 338.09
    diglyme 4854.39
    acrylic acid 1085.16
    isopropyl myristate 1377.25
    n-butyric acid 5567.96
    acetyl acetate 2773.3
    di(2-ethylhexyl) phthalate 804.26
    ethyl propionate 4687.53
    nitromethane 3985.89
    1,2-diethoxyethane 4864.32
    benzonitrile 2699.63
    trioctyl phosphate 699.58
    1-bromopropane 6596.78
    gamma-valerolactone 9194.48
    n-decanol 732.81
    triethyl phosphate 1240.28
    4-methyl-2-pentanol 1738.9
    propionitrile 3542.27
    vinylene carbonate 2871.55
    1,1,2-trichlorotrifluoroethane 3560.02
    DMS 1962.31
    cumene 956.97
    2-octanol 1237.27
    2-hexanone 5181.85
    octyl acetate 1630.39
    limonene 2025.42
    1,2-dimethoxyethane 6445.34
    ethyl orthosilicate 1290.35
    tributyl phosphate 1007.29
    diacetone alcohol 3396.33
    N,N-dimethylaniline 1500.87
    acrylonitrile 2928.68
    aniline 2138.44
    1,3-propanediol 1172.35
    bromobenzene 4168.87
    dibromomethane 7725.62
    1,1,2,2-tetrachloroethane 9775.71
    2-methyl-cyclohexyl acetate 2450.44
    tetrabutyl urea 1355.01
    diisobutyl methanol 1252.18
    2-phenylethanol 1338.17
    styrene 1955.93
    dioctyl adipate 1798.79
    dimethyl sulfate 1229.99
    ethyl butyrate 4688.71
    methyl lactate 920.93
    butyl lactate 2217.3
    diethyl carbonate 2064.28
    propanediol butyl ether 1535.37
    triethyl orthoformate 2603.01
    p-tert-butyltoluene 866.35
    methyl 4-tert-butylbenzoate 1835.98
    morpholine 8136.27
    tert-butylamine 3407.0
    n-dodecanol 527.71
    dimethoxymethane 2996.81
    ethylene carbonate 3138.69
    cyrene 1157.14
    2-ethoxyethyl acetate 3578.7
    2-ethylhexyl acetate 3990.65
    1,2,4-trichlorobenzene 3249.13
    4-methylpyridine 6180.12
    dibutyl ether 4570.01
    2,6-dimethyl-4-heptanol 1252.18
    DEF 6949.53
    dimethyl isosorbide 2601.29
    tetrachloroethylene 6228.31
    eugenol 1390.15
    triacetin 2723.99
    span 80 1646.45
    1,4-butanediol 450.58
    1,1-dichloroethane 8387.66
    2-methyl-1-pentanol 2218.19
    methyl formate 1155.0
    2-methyl-1-butanol 3208.81
    n-decane 407.01
    butyronitrile 4780.3
    3,7-dimethyl-1-octanol 1482.61
    1-chlorooctane 1737.29
    1-chlorotetradecane 481.88
    n-nonane 454.67
    undecane 229.13
    tert-butylcyclohexane 696.47
    cyclooctane 840.28
    cyclopentanol 4478.11
    tetrahydropyran 11791.63
    tert-amyl methyl ether 4354.55
    2,5,8-trioxanonane 2381.04
    1-hexene 4142.92
    2-isopropoxyethanol 2115.75
    2,2,2-trifluoroethanol 501.36
    methyl butyrate 7016.93

    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