Isobutyl laurate

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  • Identifiers

    CAS number
    37811-72-6

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCCCC(=O)OCC(C)C

  • Odor profile

    Fragrance
    Oily 73.01%
    Fatty 72.46%
    Waxy 63.25%
    Fruity 54.23%
    Winey 49.73%
    Cognac 44.75%
    Creamy 38.12%
    Fermented 37.68%
    Sweet 34.93%
    Brandy 33.21%

     

    Flavor
    Waxy 63.22%
    Oily 55.79%
    Fruity 49.68%
    Soapy 42.87%
    Floral 41.46%
    Fatty 40.82%
    Sweet 39.68%
    Mild 35.58%
    Creamy 33.09%
    Green 33.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.52 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 130.46 ˚C est.

  • Synonyms

    • Isobutyl laurate
    • 37811-72-6
    • Lauric acid isobutyl ester
    • 2-Methylpropyl dodecanoate
    • ISOBUTYL DODECANOATE
    • Dodecanoic acid, 2-methylpropyl ester
    • LAURICACIDISOBUTYLESTER
    • EINECS 253-675-0
    • AI3-08323
    • DTXSID70191252
    • NSC 406877
    • ISOBUTYLLAURATE
    • Isobutyl laurate, AldrichCPR
    • SCHEMBL333109
    • DTXCID80113743
    • MFCD00048424
    • NSC406877
    • HY-W127469
    • NSC-406877
    • DB-049199
    • CS-0185698
    • L0084
    • NS00022120
    • Q63399983
    • 253-675-0

  • Applications

    Isobutyl laurate (CAS 37811-72-6) is the lauric acid isobutyl ester and is used primarily as an emollient and solvent in cosmetics and personal care; it also serves as a carrier oil and a fragrance-related component in perfumery and fragrances; in household and cleaning products, it acts as a solvent and conditioning ingredient; in coatings, inks, and polymer/plastic applications, it can function as a processing aid, plasticizer, or co-solvent to improve handling and application properties; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3091.02
    methanol 2077.49
    isopropanol 3834.09
    water 0.04
    ethyl acetate 6530.89
    n-propanol 3156.23
    acetone 6473.83
    n-butanol 3421.77
    acetonitrile 2720.28
    DMF 3852.85
    toluene 2196.35
    isobutanol 2871.13
    1,4-dioxane 4622.67
    methyl acetate 3620.6
    THF 7423.16
    2-butanone 5720.53
    n-pentanol 2327.18
    sec-butanol 3614.77
    n-hexane 1444.44
    ethylene glycol 77.71
    NMP 3413.11
    cyclohexane 2442.67
    DMSO 3270.67
    n-butyl acetate 6203.17
    n-octanol 1384.66
    chloroform 7904.68
    n-propyl acetate 5712.67
    acetic acid 1515.04
    dichloromethane 7488.63
    cyclohexanone 9150.8
    propylene glycol 299.32
    isopropyl acetate 5121.02
    DMAc 3629.01
    2-ethoxyethanol 2396.16
    isopentanol 3852.32
    n-heptane 748.9
    ethyl formate 2519.87
    1,2-dichloroethane 5841.01
    n-hexanol 2336.56
    2-methoxyethanol 2881.67
    isobutyl acetate 3452.69
    tetrachloromethane 1614.29
    n-pentyl acetate 4322.6
    transcutol 7386.28
    n-heptanol 1320.21
    ethylbenzene 1476.98
    MIBK 3978.45
    2-propoxyethanol 2851.38
    tert-butanol 4774.83
    MTBE 7133.11
    2-butoxyethanol 2215.71
    propionic acid 1718.32
    o-xylene 1485.57
    formic acid 170.85
    diethyl ether 6087.8
    m-xylene 1512.0
    p-xylene 2116.61
    chlorobenzene 2861.75
    dimethyl carbonate 648.31
    n-octane 311.1
    formamide 345.37
    cyclopentanone 6275.0
    2-pentanone 6195.86
    anisole 2169.97
    cyclopentyl methyl ether 4844.9
    gamma-butyrolactone 4980.76
    1-methoxy-2-propanol 2917.06
    pyridine 4718.53
    3-pentanone 3513.03
    furfural 3411.96
    n-dodecane 152.06
    diethylene glycol 880.41
    diisopropyl ether 2241.29
    tert-amyl alcohol 4137.62
    acetylacetone 4574.03
    n-hexadecane 188.99
    acetophenone 2195.64
    methyl propionate 3125.67
    isopentyl acetate 5652.67
    trichloroethylene 8851.48
    n-nonanol 1188.37
    cyclohexanol 4164.48
    benzyl alcohol 1403.94
    2-ethylhexanol 2077.0
    isooctanol 1337.81
    dipropyl ether 3714.99
    1,2-dichlorobenzene 2710.0
    ethyl lactate 1092.52
    propylene carbonate 3254.51
    n-methylformamide 1521.86
    2-pentanol 3195.67
    n-pentane 836.27
    1-propoxy-2-propanol 3119.45
    1-methoxy-2-propyl acetate 3371.77
    2-(2-methoxypropoxy) propanol 1538.18
    mesitylene 1040.62
    ε-caprolactone 6855.02
    p-cymene 971.8
    epichlorohydrin 6237.55
    1,1,1-trichloroethane 6707.8
    2-aminoethanol 416.2
    morpholine-4-carbaldehyde 3552.19
    sulfolane 4744.72
    2,2,4-trimethylpentane 427.8
    2-methyltetrahydrofuran 7249.31
    n-hexyl acetate 4330.48
    isooctane 336.31
    2-(2-butoxyethoxy)ethanol 2202.83
    sec-butyl acetate 4272.71
    tert-butyl acetate 4844.09
    decalin 778.82
    glycerin 315.06
    diglyme 4758.75
    acrylic acid 870.6
    isopropyl myristate 1321.89
    n-butyric acid 4793.67
    acetyl acetate 2717.8
    di(2-ethylhexyl) phthalate 820.68
    ethyl propionate 4209.31
    nitromethane 3222.16
    1,2-diethoxyethane 4474.5
    benzonitrile 2642.3
    trioctyl phosphate 680.82
    1-bromopropane 4981.57
    gamma-valerolactone 7342.13
    n-decanol 763.37
    triethyl phosphate 1072.27
    4-methyl-2-pentanol 1920.8
    propionitrile 3039.51
    vinylene carbonate 2393.24
    1,1,2-trichlorotrifluoroethane 2856.79
    DMS 1751.58
    cumene 995.31
    2-octanol 1266.21
    2-hexanone 4961.59
    octyl acetate 1529.56
    limonene 1859.47
    1,2-dimethoxyethane 6046.38
    ethyl orthosilicate 1157.81
    tributyl phosphate 967.79
    diacetone alcohol 3307.2
    N,N-dimethylaniline 1423.51
    acrylonitrile 2431.95
    aniline 1889.72
    1,3-propanediol 1148.0
    bromobenzene 3383.53
    dibromomethane 5667.13
    1,1,2,2-tetrachloroethane 7965.92
    2-methyl-cyclohexyl acetate 2360.12
    tetrabutyl urea 1227.88
    diisobutyl methanol 1326.99
    2-phenylethanol 1415.22
    styrene 1848.98
    dioctyl adipate 1671.49
    dimethyl sulfate 900.7
    ethyl butyrate 4318.41
    methyl lactate 796.25
    butyl lactate 2053.0
    diethyl carbonate 1930.03
    propanediol butyl ether 1570.81
    triethyl orthoformate 2411.1
    p-tert-butyltoluene 869.99
    methyl 4-tert-butylbenzoate 1726.71
    morpholine 6610.95
    tert-butylamine 3217.9
    n-dodecanol 541.68
    dimethoxymethane 2553.19
    ethylene carbonate 2662.14
    cyrene 1134.82
    2-ethoxyethyl acetate 3440.67
    2-ethylhexyl acetate 4223.56
    1,2,4-trichlorobenzene 2747.09
    4-methylpyridine 5364.37
    dibutyl ether 3768.83
    2,6-dimethyl-4-heptanol 1326.99
    DEF 5350.2
    dimethyl isosorbide 2458.47
    tetrachloroethylene 4832.87
    eugenol 1426.94
    triacetin 2479.57
    span 80 1589.07
    1,4-butanediol 475.16
    1,1-dichloroethane 6993.82
    2-methyl-1-pentanol 2397.32
    methyl formate 956.38
    2-methyl-1-butanol 3138.24
    n-decane 360.13
    butyronitrile 4574.52
    3,7-dimethyl-1-octanol 1650.09
    1-chlorooctane 1511.05
    1-chlorotetradecane 448.96
    n-nonane 397.04
    undecane 216.05
    tert-butylcyclohexane 656.1
    cyclooctane 606.01
    cyclopentanol 3306.28
    tetrahydropyran 9192.15
    tert-amyl methyl ether 4197.41
    2,5,8-trioxanonane 2423.11
    1-hexene 3814.09
    2-isopropoxyethanol 2224.01
    2,2,2-trifluoroethanol 383.57
    methyl butyrate 6303.24

    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