Pentadecyl acetate

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  • Identifiers

    CAS number
    629-58-3

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCCCCCCOC(=O)C

  • Odor profile

    Fragrance
    Waxy 73.06%
    Fatty 65.14%
    Oily 58.66%
    Fruity 55.57%
    Sweet 46.26%
    Clean 35.23%
    Fresh 35.12%
    Citrus 33.36%
    Floral 32.52%
    Creamy 29.71%

     

    Flavor
    Waxy 75.07%
    Soapy 48.8%
    Oily 45.69%
    Fatty 45.5%
    Sweet 41.31%
    Mild 39.81%
    Coconut 39.21%
    Clean 38.1%
    Floral 36.84%
    Fat 36.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.47 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 145.28 ˚C est.

  • Synonyms

    • Pentadecyl acetate
    • 629-58-3
    • PENTADECANYL ACETATE
    • Pentadecanylacetate
    • 1-Pentadecanol acetate
    • Acetic Acid Pentadecyl Ester
    • n-pentadecyl acetate
    • MFCD00056204
    • Acetic acid, pentadecyl ester
    • DTXSID50334842
    • Pentadecyl acetate #
    • 15-OAc
    • SCHEMBL966423
    • DTXCID00285931
    • CHEBI:179970
    • LMFA07010342
    • HY-W127539
    • AS-81681
    • Pentadecyl acetate, ~99% (capillary GC)
    • DB-054347
    • CS-0185765
    • P1700
    • D92147

  • Applications

    Pentadecyl acetate (CAS 629-58-3) is a long-chain fatty ester used primarily as a fragrance ingredient and fixative in perfumery, helping to extend scent in formulations; it is also employed as an emollient or conditioning ingredient in cosmetics and personal care products; because of its long-chain fatty ester character, it can function as a solvent or processing aid in coatings and inks and may act as a plasticizing component in polymer systems; it may also appear as a fragrance component in household products and related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 152.52
    methanol 135.55
    isopropanol 250.44
    water 0.01
    ethyl acetate 877.72
    n-propanol 225.42
    acetone 528.84
    n-butanol 265.53
    acetonitrile 224.24
    DMF 732.56
    toluene 337.51
    isobutanol 253.73
    1,4-dioxane 781.93
    methyl acetate 478.05
    THF 1751.13
    2-butanone 741.54
    n-pentanol 207.32
    sec-butanol 296.59
    n-hexane 183.55
    ethylene glycol 8.76
    NMP 1303.9
    cyclohexane 624.92
    DMSO 813.86
    n-butyl acetate 985.5
    n-octanol 202.03
    chloroform 1858.26
    n-propyl acetate 997.73
    acetic acid 182.61
    dichloromethane 1836.01
    cyclohexanone 1999.28
    propylene glycol 35.03
    isopropyl acetate 801.15
    DMAc 1004.91
    2-ethoxyethanol 348.04
    isopentanol 355.72
    n-heptane 164.99
    ethyl formate 315.62
    1,2-dichloroethane 1337.92
    n-hexanol 232.55
    2-methoxyethanol 385.61
    isobutyl acetate 649.42
    tetrachloromethane 462.45
    n-pentyl acetate 958.47
    transcutol 1656.52
    n-heptanol 172.23
    ethylbenzene 277.23
    MIBK 720.44
    2-propoxyethanol 413.04
    tert-butanol 465.32
    MTBE 830.79
    2-butoxyethanol 396.89
    propionic acid 237.1
    o-xylene 304.2
    formic acid 25.3
    diethyl ether 724.05
    m-xylene 276.99
    p-xylene 402.98
    chlorobenzene 561.89
    dimethyl carbonate 128.84
    n-octane 58.66
    formamide 58.48
    cyclopentanone 1719.19
    2-pentanone 845.21
    anisole 488.31
    cyclopentyl methyl ether 1239.55
    gamma-butyrolactone 1463.19
    1-methoxy-2-propanol 464.29
    pyridine 860.04
    3-pentanone 655.99
    furfural 927.81
    n-dodecane 30.06
    diethylene glycol 137.51
    diisopropyl ether 353.62
    tert-amyl alcohol 480.45
    acetylacetone 902.69
    n-hexadecane 38.7
    acetophenone 561.13
    methyl propionate 533.16
    isopentyl acetate 918.02
    trichloroethylene 1991.64
    n-nonanol 205.29
    cyclohexanol 628.36
    benzyl alcohol 267.78
    2-ethylhexanol 301.27
    isooctanol 208.65
    dipropyl ether 828.77
    1,2-dichlorobenzene 675.03
    ethyl lactate 260.23
    propylene carbonate 819.51
    n-methylformamide 211.76
    2-pentanol 276.6
    n-pentane 97.13
    1-propoxy-2-propanol 513.34
    1-methoxy-2-propyl acetate 740.89
    2-(2-methoxypropoxy) propanol 398.71
    mesitylene 230.55
    ε-caprolactone 1514.58
    p-cymene 222.22
    epichlorohydrin 1509.01
    1,1,1-trichloroethane 1573.16
    2-aminoethanol 48.41
    morpholine-4-carbaldehyde 989.75
    sulfolane 2085.56
    2,2,4-trimethylpentane 75.76
    2-methyltetrahydrofuran 1552.94
    n-hexyl acetate 940.59
    isooctane 51.13
    2-(2-butoxyethoxy)ethanol 537.13
    sec-butyl acetate 797.18
    tert-butyl acetate 1018.14
    decalin 197.67
    glycerin 56.29
    diglyme 1174.28
    acrylic acid 133.13
    isopropyl myristate 338.76
    n-butyric acid 638.27
    acetyl acetate 476.38
    di(2-ethylhexyl) phthalate 213.01
    ethyl propionate 843.12
    nitromethane 471.66
    1,2-diethoxyethane 955.37
    benzonitrile 443.71
    trioctyl phosphate 171.47
    1-bromopropane 966.04
    gamma-valerolactone 1859.36
    n-decanol 133.44
    triethyl phosphate 383.99
    4-methyl-2-pentanol 213.92
    propionitrile 332.11
    vinylene carbonate 564.48
    1,1,2-trichlorotrifluoroethane 859.12
    DMS 442.74
    cumene 205.15
    2-octanol 186.0
    2-hexanone 834.59
    octyl acetate 377.61
    limonene 467.57
    1,2-dimethoxyethane 1123.31
    ethyl orthosilicate 389.76
    tributyl phosphate 252.76
    diacetone alcohol 698.17
    N,N-dimethylaniline 359.18
    acrylonitrile 301.27
    aniline 312.53
    1,3-propanediol 119.27
    bromobenzene 708.88
    dibromomethane 1321.04
    1,1,2,2-tetrachloroethane 2155.41
    2-methyl-cyclohexyl acetate 688.53
    tetrabutyl urea 370.55
    diisobutyl methanol 240.86
    2-phenylethanol 267.33
    styrene 332.3
    dioctyl adipate 498.94
    dimethyl sulfate 314.68
    ethyl butyrate 965.81
    methyl lactate 171.23
    butyl lactate 489.96
    diethyl carbonate 478.65
    propanediol butyl ether 295.81
    triethyl orthoformate 691.15
    p-tert-butyltoluene 210.17
    methyl 4-tert-butylbenzoate 533.39
    morpholine 1126.9
    tert-butylamine 360.55
    n-dodecanol 98.34
    dimethoxymethane 463.84
    ethylene carbonate 591.79
    cyrene 392.05
    2-ethoxyethyl acetate 824.84
    2-ethylhexyl acetate 794.87
    1,2,4-trichlorobenzene 772.09
    4-methylpyridine 872.85
    dibutyl ether 796.12
    2,6-dimethyl-4-heptanol 240.86
    DEF 1037.26
    dimethyl isosorbide 922.5
    tetrachloroethylene 1307.66
    eugenol 381.42
    triacetin 784.79
    span 80 425.43
    1,4-butanediol 49.42
    1,1-dichloroethane 1245.42
    2-methyl-1-pentanol 270.78
    methyl formate 137.08
    2-methyl-1-butanol 308.01
    n-decane 74.16
    butyronitrile 456.0
    3,7-dimethyl-1-octanol 263.03
    1-chlorooctane 326.95
    1-chlorotetradecane 104.68
    n-nonane 76.71
    undecane 43.33
    tert-butylcyclohexane 144.08
    cyclooctane 141.49
    cyclopentanol 572.18
    tetrahydropyran 1540.37
    tert-amyl methyl ether 723.24
    2,5,8-trioxanonane 713.55
    1-hexene 395.18
    2-isopropoxyethanol 355.03
    2,2,2-trifluoroethanol 76.23
    methyl butyrate 1154.64

    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

Botanical

Name CAS Botanical Proportion
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%