Butanoic acid, 3-oxo-, tetradecyl ester

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  • Identifiers

    CAS number
    70938-05-5

    Molecular formula
    C18H34O3

    SMILES
    CCCCCCCCCCCCCCOC(=O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.05%
    Waxy 62.33%
    Oily 55.68%
    Fruity 54.55%
    Floral 42.17%
    Sweet 39.85%
    Creamy 39.32%
    Dairy 34.84%
    Buttery 31.95%
    Winey 31.79%

     

    Flavor
    Waxy 66.12%
    Fatty 52.07%
    Oily 48.11%
    Fruity 47.28%
    Soapy 44.64%
    Creamy 40.16%
    Sweet 40.09%
    Coconut 38.92%
    Floral 38.42%
    Fat 34.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.15 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 159.56 ˚C est.

  • Synonyms

    • Butanoic acid, 3-oxo-, tetradecyl ester
    • RefChem:571498
    • tetradecyl 3-oxobutanoate
    • Tetradecyl acetoacetate
    • 70938-05-5
    • Butanoic acid, 3-oxo-,tetradecyl ester
    • EINECS 275-030-2
    • MFCD00521061
    • SCHEMBL6907135
    • DTXSID80991220
    • FUCMCKCYPNPVSS-UHFFFAOYSA-N
    • NS00063426
    • G65429
    • 70938-05-5

  • Applications

    Butanoic acid, 3-oxo-, tetradecyl ester (CAS number: 70938-05-5) is used primarily as a synthetic intermediate in organic synthesis, enabling access to beta-dicarbonyl derivatives and related specialty chemicals. In perfumery, it may be employed as a fragrance material or aroma precursor, contributing fruity or creamy notes depending on formulation. In cosmetics and personal care, the long-chain ester can function as a waxy emollient and conditioning component, providing slip and texture in creams, lotions, and solid products. In coatings, inks and adhesives, it can serve as a processing aid or plasticizer to improve film formation and flexibility. It may also be evaluated as a lubricant additive or polishing agent in industrial formulations, subject to purity and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.59
    methanol 139.34
    isopropanol 193.09
    water 0.03
    ethyl acetate 472.15
    n-propanol 171.13
    acetone 581.62
    n-butanol 190.93
    acetonitrile 199.44
    DMF 857.53
    toluene 218.22
    isobutanol 197.41
    1,4-dioxane 527.79
    methyl acetate 345.56
    THF 1579.28
    2-butanone 556.01
    n-pentanol 148.59
    sec-butanol 211.58
    n-hexane 58.28
    ethylene glycol 12.82
    NMP 1447.07
    cyclohexane 219.19
    DMSO 1112.44
    n-butyl acetate 457.53
    n-octanol 110.06
    chloroform 1525.8
    n-propyl acetate 536.97
    acetic acid 226.41
    dichloromethane 1476.58
    cyclohexanone 1579.44
    propylene glycol 50.85
    isopropyl acetate 431.0
    DMAc 1123.01
    2-ethoxyethanol 270.63
    isopentanol 245.3
    n-heptane 36.12
    ethyl formate 246.89
    1,2-dichloroethane 1091.39
    n-hexanol 131.81
    2-methoxyethanol 349.08
    isobutyl acetate 372.19
    tetrachloromethane 267.56
    n-pentyl acetate 483.91
    transcutol 1155.9
    n-heptanol 93.31
    ethylbenzene 159.24
    MIBK 499.18
    2-propoxyethanol 294.85
    tert-butanol 353.61
    MTBE 427.38
    2-butoxyethanol 257.07
    propionic acid 227.31
    o-xylene 189.55
    formic acid 42.48
    diethyl ether 307.89
    m-xylene 175.82
    p-xylene 238.63
    chlorobenzene 415.55
    dimethyl carbonate 117.94
    n-octane 16.88
    formamide 93.57
    cyclopentanone 1626.69
    2-pentanone 582.64
    anisole 321.0
    cyclopentyl methyl ether 792.91
    gamma-butyrolactone 1395.87
    1-methoxy-2-propanol 385.81
    pyridine 612.35
    3-pentanone 435.43
    furfural 866.89
    n-dodecane 11.12
    diethylene glycol 135.01
    diisopropyl ether 137.21
    tert-amyl alcohol 333.68
    acetylacetone 723.38
    n-hexadecane 14.1
    acetophenone 400.31
    methyl propionate 360.7
    isopentyl acetate 464.82
    trichloroethylene 1742.06
    n-nonanol 108.92
    cyclohexanol 438.27
    benzyl alcohol 225.66
    2-ethylhexanol 143.78
    isooctanol 108.69
    dipropyl ether 278.92
    1,2-dichlorobenzene 465.57
    ethyl lactate 191.38
    propylene carbonate 715.79
    n-methylformamide 261.35
    2-pentanol 169.09
    n-pentane 33.12
    1-propoxy-2-propanol 307.12
    1-methoxy-2-propyl acetate 423.37
    2-(2-methoxypropoxy) propanol 301.4
    mesitylene 134.73
    ε-caprolactone 1098.14
    p-cymene 105.06
    epichlorohydrin 1376.09
    1,1,1-trichloroethane 1152.85
    2-aminoethanol 58.96
    morpholine-4-carbaldehyde 899.93
    sulfolane 2125.17
    2,2,4-trimethylpentane 30.93
    2-methyltetrahydrofuran 1108.58
    n-hexyl acetate 515.7
    isooctane 19.48
    2-(2-butoxyethoxy)ethanol 378.11
    sec-butyl acetate 391.55
    tert-butyl acetate 577.02
    decalin 80.29
    glycerin 82.18
    diglyme 811.66
    acrylic acid 151.45
    isopropyl myristate 171.88
    n-butyric acid 516.13
    acetyl acetate 304.56
    di(2-ethylhexyl) phthalate 151.39
    ethyl propionate 435.81
    nitromethane 578.65
    1,2-diethoxyethane 440.5
    benzonitrile 319.43
    trioctyl phosphate 109.95
    1-bromopropane 573.08
    gamma-valerolactone 1637.12
    n-decanol 73.38
    triethyl phosphate 214.47
    4-methyl-2-pentanol 127.84
    propionitrile 231.64
    vinylene carbonate 518.99
    1,1,2-trichlorotrifluoroethane 833.93
    DMS 302.3
    cumene 115.69
    2-octanol 92.63
    2-hexanone 512.06
    octyl acetate 206.49
    limonene 212.07
    1,2-dimethoxyethane 740.38
    ethyl orthosilicate 200.02
    tributyl phosphate 160.26
    diacetone alcohol 545.52
    N,N-dimethylaniline 237.29
    acrylonitrile 252.83
    aniline 234.7
    1,3-propanediol 124.03
    bromobenzene 478.35
    dibromomethane 983.69
    1,1,2,2-tetrachloroethane 1785.07
    2-methyl-cyclohexyl acetate 383.49
    tetrabutyl urea 243.44
    diisobutyl methanol 103.08
    2-phenylethanol 187.98
    styrene 192.7
    dioctyl adipate 305.45
    dimethyl sulfate 324.68
    ethyl butyrate 410.63
    methyl lactate 169.6
    butyl lactate 323.9
    diethyl carbonate 236.53
    propanediol butyl ether 241.08
    triethyl orthoformate 305.07
    p-tert-butyltoluene 100.76
    methyl 4-tert-butylbenzoate 380.4
    morpholine 815.18
    tert-butylamine 229.61
    n-dodecanol 54.06
    dimethoxymethane 377.85
    ethylene carbonate 479.23
    cyrene 358.96
    2-ethoxyethyl acetate 480.57
    2-ethylhexyl acetate 384.46
    1,2,4-trichlorobenzene 570.73
    4-methylpyridine 643.53
    dibutyl ether 315.95
    2,6-dimethyl-4-heptanol 103.08
    DEF 708.71
    dimethyl isosorbide 682.99
    tetrachloroethylene 999.65
    eugenol 291.4
    triacetin 529.62
    span 80 300.22
    1,4-butanediol 52.42
    1,1-dichloroethane 966.93
    2-methyl-1-pentanol 181.89
    methyl formate 177.78
    2-methyl-1-butanol 217.57
    n-decane 24.85
    butyronitrile 299.57
    3,7-dimethyl-1-octanol 140.19
    1-chlorooctane 150.74
    1-chlorotetradecane 47.55
    n-nonane 24.29
    undecane 15.62
    tert-butylcyclohexane 56.18
    cyclooctane 42.05
    cyclopentanol 490.11
    tetrahydropyran 976.32
    tert-amyl methyl ether 366.66
    2,5,8-trioxanonane 520.05
    1-hexene 175.57
    2-isopropoxyethanol 241.35
    2,2,2-trifluoroethanol 103.35
    methyl butyrate 653.59

    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