Dodecyl isobutyrate

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  • Identifiers

    CAS number
    6624-71-1

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCCCCOC(=O)C(C)C

  • Odor profile

    Fragrance
    Oily 68.56%
    Fatty 67.49%
    Fruity 64.3%
    Waxy 62.74%
    Sweet 39.42%
    Winey 38.38%
    Cognac 37.34%
    Creamy 34.08%
    Floral 33.97%
    Rose 33.53%

     

    Flavor
    Waxy 71.51%
    Fruity 56.4%
    Oily 54.79%
    Floral 47.98%
    Soapy 44.73%
    Sweet 42.31%
    Fatty 36.99%
    Clean 35.94%
    Green 35.65%
    Mild 34.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.5 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 299.00 °C. @ 760.00 mm Hg

    Flash point

    • 129.7 ˚C est.

    Solubility expt.

    • soluble in organic solvents; insoluble inwater

  • Synonyms

    • Dodecyl isobutyrate
    • 6624-71-1
    • Dodecyl 2-methylpropanoate
    • Lauryl isobutyrate
    • Propanoic acid, 2-methyl-, dodecyl ester
    • Isobutyric acid, dodecyl ester
    • Lauryl 2-methylpropanoate
    • FEMA No. 3452
    • UNII-02470X34WD
    • EINECS 229-583-1
    • NSC 53823
    • 02470X34WD
    • MFCD00129690
    • NSC-53823
    • DTXSID4064424
    • DODECYL ISOBUTYRATE [FHFI]
    • Isobutyric acid, dodecyl ester (8CI)
    • Dodecyl 2-methylpropanoate #
    • SCHEMBL2351893
    • DTXCID6044775
    • FEMA 3452
    • CHEBI:174372
    • NSC53823
    • LMFA07010842
    • AKOS028108630
    • DS-3339
    • SY076741
    • DB-254591
    • CS-0160230
    • NS00022638
    • A11103
    • Q27231485
    • 229-583-1

  • Applications

    Dodecyl isobutyrate (CAS 6624-71-1) is an alkyl isobutyrate ester typically used as a non-polar solvent and fragrance solvent/carrier in perfumery, helping dissolve and carry aroma compounds and, in some cases, acting as a brief fixative; in cosmetics and personal care, it serves as a solvent and emollient carrier for lightweight formulations, aiding solubility of actives and fragrance ingredients; in household products and cleaners, it can function as a fragrance solvent and carrier; in coatings, inks, and polymer processing, it can act as a processing solvent or plasticizer to improve flow, leveling, and film formation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3206.45
    methanol 2344.34
    isopropanol 4430.49
    water 0.09
    ethyl acetate 10535.66
    n-propanol 3770.92
    acetone 8696.24
    n-butanol 4259.8
    acetonitrile 4818.25
    DMF 5739.47
    toluene 3397.49
    isobutanol 3610.55
    1,4-dioxane 7079.75
    methyl acetate 5941.49
    THF 9978.38
    2-butanone 8881.46
    n-pentanol 3016.12
    sec-butanol 4538.35
    n-hexane 2206.36
    ethylene glycol 86.13
    NMP 5466.47
    cyclohexane 4078.95
    DMSO 4340.3
    n-butyl acetate 9305.29
    n-octanol 1982.83
    chloroform 13156.68
    n-propyl acetate 9725.71
    acetic acid 2102.87
    dichloromethane 13490.97
    cyclohexanone 14536.54
    propylene glycol 302.8
    isopropyl acetate 7980.89
    DMAc 5710.17
    2-ethoxyethanol 3479.94
    isopentanol 4836.78
    n-heptane 1214.31
    ethyl formate 4100.75
    1,2-dichloroethane 9982.87
    n-hexanol 2722.97
    2-methoxyethanol 3860.57
    isobutyl acetate 5294.47
    tetrachloromethane 3228.3
    n-pentyl acetate 7112.88
    transcutol 10248.19
    n-heptanol 1913.71
    ethylbenzene 2330.05
    MIBK 5778.54
    2-propoxyethanol 3676.33
    tert-butanol 5993.98
    MTBE 10429.15
    2-butoxyethanol 3130.83
    propionic acid 2537.48
    o-xylene 2357.62
    formic acid 242.62
    diethyl ether 10331.59
    m-xylene 2308.83
    p-xylene 3396.1
    chlorobenzene 4676.14
    dimethyl carbonate 1076.71
    n-octane 522.37
    formamide 599.15
    cyclopentanone 10053.85
    2-pentanone 9422.14
    anisole 3562.09
    cyclopentyl methyl ether 7722.86
    gamma-butyrolactone 8232.11
    1-methoxy-2-propanol 3830.35
    pyridine 7413.44
    3-pentanone 6130.65
    furfural 5298.66
    n-dodecane 218.78
    diethylene glycol 1011.32
    diisopropyl ether 3648.43
    tert-amyl alcohol 5640.38
    acetylacetone 6877.46
    n-hexadecane 274.53
    acetophenone 3535.26
    methyl propionate 5217.94
    isopentyl acetate 8131.38
    trichloroethylene 14641.94
    n-nonanol 1731.78
    cyclohexanol 5860.01
    benzyl alcohol 2007.55
    2-ethylhexanol 2838.87
    isooctanol 1969.67
    dipropyl ether 5798.55
    1,2-dichlorobenzene 4457.21
    ethyl lactate 1598.68
    propylene carbonate 4833.02
    n-methylformamide 2555.03
    2-pentanol 4203.06
    n-pentane 1309.37
    1-propoxy-2-propanol 4215.83
    1-methoxy-2-propyl acetate 5073.11
    2-(2-methoxypropoxy) propanol 1947.21
    mesitylene 1619.13
    ε-caprolactone 10884.0
    p-cymene 1514.7
    epichlorohydrin 9562.54
    1,1,1-trichloroethane 12052.43
    2-aminoethanol 478.08
    morpholine-4-carbaldehyde 5498.94
    sulfolane 7261.47
    2,2,4-trimethylpentane 702.7
    2-methyltetrahydrofuran 11225.34
    n-hexyl acetate 6671.43
    isooctane 529.5
    2-(2-butoxyethoxy)ethanol 2976.1
    sec-butyl acetate 6764.49
    tert-butyl acetate 7678.52
    decalin 1242.93
    glycerin 330.6
    diglyme 7073.31
    acrylic acid 1271.09
    isopropyl myristate 1904.58
    n-butyric acid 7019.54
    acetyl acetate 4524.28
    di(2-ethylhexyl) phthalate 1087.68
    ethyl propionate 7259.48
    nitromethane 5416.74
    1,2-diethoxyethane 7439.6
    benzonitrile 3939.44
    trioctyl phosphate 947.97
    1-bromopropane 8492.26
    gamma-valerolactone 11245.97
    n-decanol 1040.22
    triethyl phosphate 1759.73
    4-methyl-2-pentanol 2453.2
    propionitrile 5136.81
    vinylene carbonate 3858.54
    1,1,2-trichlorotrifluoroethane 4264.23
    DMS 2729.8
    cumene 1533.6
    2-octanol 1934.72
    2-hexanone 7282.37
    octyl acetate 2229.0
    limonene 2835.18
    1,2-dimethoxyethane 9214.92
    ethyl orthosilicate 1931.97
    tributyl phosphate 1384.02
    diacetone alcohol 4574.79
    N,N-dimethylaniline 2311.23
    acrylonitrile 4145.46
    aniline 2857.55
    1,3-propanediol 1340.6
    bromobenzene 5778.64
    dibromomethane 10116.46
    1,1,2,2-tetrachloroethane 12782.03
    2-methyl-cyclohexyl acetate 3570.92
    tetrabutyl urea 1751.15
    diisobutyl methanol 1818.83
    2-phenylethanol 1882.42
    styrene 2984.69
    dioctyl adipate 2370.33
    dimethyl sulfate 1545.56
    ethyl butyrate 7414.39
    methyl lactate 1115.26
    butyl lactate 3063.51
    diethyl carbonate 3181.06
    propanediol butyl ether 1989.68
    triethyl orthoformate 4004.07
    p-tert-butyltoluene 1336.25
    methyl 4-tert-butylbenzoate 2590.59
    morpholine 9817.61
    tert-butylamine 4414.92
    n-dodecanol 711.26
    dimethoxymethane 3941.03
    ethylene carbonate 4237.25
    cyrene 1501.14
    2-ethoxyethyl acetate 5542.92
    2-ethylhexyl acetate 6497.8
    1,2,4-trichlorobenzene 4454.08
    4-methylpyridine 8310.93
    dibutyl ether 6034.33
    2,6-dimethyl-4-heptanol 1818.83
    DEF 9361.31
    dimethyl isosorbide 3500.65
    tetrachloroethylene 8385.42
    eugenol 2039.35
    triacetin 3682.57
    span 80 2006.11
    1,4-butanediol 580.38
    1,1-dichloroethane 11696.94
    2-methyl-1-pentanol 3196.76
    methyl formate 1548.98
    2-methyl-1-butanol 4271.5
    n-decane 569.72
    butyronitrile 7222.34
    3,7-dimethyl-1-octanol 2292.01
    1-chlorooctane 2454.05
    1-chlorotetradecane 635.76
    n-nonane 649.01
    undecane 317.36
    tert-butylcyclohexane 1035.51
    cyclooctane 1033.15
    cyclopentanol 4554.09
    tetrahydropyran 13882.6
    tert-amyl methyl ether 6797.21
    2,5,8-trioxanonane 3156.23
    1-hexene 5307.63
    2-isopropoxyethanol 3112.84
    2,2,2-trifluoroethanol 634.5
    methyl butyrate 10566.79

    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