Hexadecanoic acid, pentyl ester

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  • Identifiers

    CAS number
    31148-31-9

    Molecular formula
    C21H42O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCCCC

  • Odor profile

    Fragrance
    Waxy 71.33%
    Fatty 71.18%
    Oily 67.53%
    Fruity 37.81%
    Creamy 34.57%
    Sweet 32.59%
    Odorless 31.13%
    Winey 26.98%
    Dairy 26.32%
    Cognac 26.0%

     

    Flavor
    Waxy 69.23%
    Fatty 53.62%
    Oily 51.4%
    Mild 43.77%
    Soapy 43.07%
    Coconut 40.09%
    Fat 37.53%
    Sweet 34.95%
    Creamy 34.74%
    Fruity 32.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    7.2 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 168.97 ˚C est.

  • Synonyms

    • Pentyl palmitate
    • pentyl hexadecanoate
    • 31148-31-9
    • Hexadecanoic acid, pentyl ester
    • EINECS 250-487-0
    • SCHEMBL333338
    • DTXSID80185081
    • NS00022035

  • Applications

    Hexadecanoic acid, pentyl ester (CAS number: 31148-31-9) is commonly used as an emollient in cosmetics and personal care formulations, contributing a smooth skin feel. It is also used in fragrance and flavor applications as a fragrance solvent and aroma carrier. In coatings, inks, and polymer formulations, it acts as a fatty-ester plasticizer or processing aid to improve film flexibility and lubricity. Additionally, it can serve as a carrier oil or solvent in industrial formulations and may function as a lubricating additive or processing aid in materials manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.02
    methanol 143.33
    isopropanol 241.8
    water 0.06
    ethyl acetate 1417.97
    n-propanol 248.7
    acetone 793.11
    n-butanol 341.87
    acetonitrile 331.36
    DMF 1054.32
    toluene 529.45
    isobutanol 299.71
    1,4-dioxane 1060.92
    methyl acetate 746.77
    THF 2372.02
    2-butanone 1089.99
    n-pentanol 240.5
    sec-butanol 357.25
    n-hexane 190.94
    ethylene glycol 9.99
    NMP 2300.96
    cyclohexane 1036.67
    DMSO 1100.32
    n-butyl acetate 1581.71
    n-octanol 322.54
    chloroform 2851.38
    n-propyl acetate 1656.1
    acetic acid 307.25
    dichloromethane 3097.05
    cyclohexanone 3497.3
    propylene glycol 35.77
    isopropyl acetate 1354.07
    DMAc 1798.33
    2-ethoxyethanol 431.47
    isopentanol 473.55
    n-heptane 196.81
    ethyl formate 520.11
    1,2-dichloroethane 2387.78
    n-hexanol 256.01
    2-methoxyethanol 447.9
    isobutyl acetate 1041.21
    tetrachloromethane 795.53
    n-pentyl acetate 1965.79
    transcutol 2359.95
    n-heptanol 268.45
    ethylbenzene 385.58
    MIBK 1222.04
    2-propoxyethanol 492.77
    tert-butanol 489.94
    MTBE 1024.61
    2-butoxyethanol 650.9
    propionic acid 367.14
    o-xylene 492.59
    formic acid 45.8
    diethyl ether 894.94
    m-xylene 409.39
    p-xylene 643.08
    chlorobenzene 1031.74
    dimethyl carbonate 251.93
    n-octane 87.62
    formamide 123.1
    cyclopentanone 2786.77
    2-pentanone 1337.22
    anisole 740.73
    cyclopentyl methyl ether 1742.26
    gamma-butyrolactone 2396.22
    1-methoxy-2-propanol 532.81
    pyridine 1420.33
    3-pentanone 1097.13
    furfural 1508.75
    n-dodecane 42.6
    diethylene glycol 155.14
    diisopropyl ether 493.24
    tert-amyl alcohol 594.91
    acetylacetone 1498.83
    n-hexadecane 55.31
    acetophenone 946.52
    methyl propionate 893.02
    isopentyl acetate 1507.28
    trichloroethylene 3562.9
    n-nonanol 327.33
    cyclohexanol 949.67
    benzyl alcohol 372.0
    2-ethylhexanol 383.2
    isooctanol 320.91
    dipropyl ether 991.47
    1,2-dichlorobenzene 1286.14
    ethyl lactate 390.56
    propylene carbonate 1422.5
    n-methylformamide 366.87
    2-pentanol 360.77
    n-pentane 125.36
    1-propoxy-2-propanol 650.88
    1-methoxy-2-propyl acetate 1142.08
    2-(2-methoxypropoxy) propanol 530.18
    mesitylene 350.43
    ε-caprolactone 2698.32
    p-cymene 335.38
    epichlorohydrin 2401.39
    1,1,1-trichloroethane 2688.08
    2-aminoethanol 52.99
    morpholine-4-carbaldehyde 1602.83
    sulfolane 3341.89
    2,2,4-trimethylpentane 118.6
    2-methyltetrahydrofuran 2239.69
    n-hexyl acetate 1687.61
    isooctane 70.95
    2-(2-butoxyethoxy)ethanol 759.29
    sec-butyl acetate 1293.42
    tert-butyl acetate 1636.23
    decalin 271.07
    glycerin 61.01
    diglyme 1973.94
    acrylic acid 225.42
    isopropyl myristate 526.76
    n-butyric acid 1032.3
    acetyl acetate 843.1
    di(2-ethylhexyl) phthalate 332.63
    ethyl propionate 1384.92
    nitromethane 872.84
    1,2-diethoxyethane 1461.22
    benzonitrile 689.31
    trioctyl phosphate 269.92
    1-bromopropane 1462.73
    gamma-valerolactone 3134.75
    n-decanol 200.45
    triethyl phosphate 596.96
    4-methyl-2-pentanol 287.4
    propionitrile 463.11
    vinylene carbonate 1048.05
    1,1,2-trichlorotrifluoroethane 1248.71
    DMS 754.73
    cumene 286.63
    2-octanol 308.64
    2-hexanone 1213.71
    octyl acetate 609.36
    limonene 714.69
    1,2-dimethoxyethane 1573.98
    ethyl orthosilicate 600.03
    tributyl phosphate 397.55
    diacetone alcohol 1032.8
    N,N-dimethylaniline 531.03
    acrylonitrile 434.55
    aniline 482.32
    1,3-propanediol 144.6
    bromobenzene 1293.8
    dibromomethane 2118.48
    1,1,2,2-tetrachloroethane 3479.59
    2-methyl-cyclohexyl acetate 1050.19
    tetrabutyl urea 608.07
    diisobutyl methanol 316.22
    2-phenylethanol 355.7
    styrene 490.49
    dioctyl adipate 770.16
    dimethyl sulfate 553.89
    ethyl butyrate 1557.21
    methyl lactate 264.4
    butyl lactate 874.15
    diethyl carbonate 741.24
    propanediol butyl ether 442.77
    triethyl orthoformate 1074.62
    p-tert-butyltoluene 300.0
    methyl 4-tert-butylbenzoate 938.95
    morpholine 1535.79
    tert-butylamine 372.98
    n-dodecanol 141.84
    dimethoxymethane 668.39
    ethylene carbonate 1087.65
    cyrene 547.19
    2-ethoxyethyl acetate 1620.75
    2-ethylhexyl acetate 1363.34
    1,2,4-trichlorobenzene 1399.43
    4-methylpyridine 1474.87
    dibutyl ether 1245.99
    2,6-dimethyl-4-heptanol 316.22
    DEF 1808.59
    dimethyl isosorbide 1276.27
    tetrachloroethylene 2251.64
    eugenol 621.49
    triacetin 1332.15
    span 80 581.08
    1,4-butanediol 61.7
    1,1-dichloroethane 1984.27
    2-methyl-1-pentanol 343.29
    methyl formate 248.43
    2-methyl-1-butanol 413.16
    n-decane 108.26
    butyronitrile 646.65
    3,7-dimethyl-1-octanol 384.96
    1-chlorooctane 535.59
    1-chlorotetradecane 150.71
    n-nonane 110.28
    undecane 62.25
    tert-butylcyclohexane 181.46
    cyclooctane 228.95
    cyclopentanol 759.24
    tetrahydropyran 2183.12
    tert-amyl methyl ether 977.74
    2,5,8-trioxanonane 985.76
    1-hexene 425.9
    2-isopropoxyethanol 436.56
    2,2,2-trifluoroethanol 159.39
    methyl butyrate 1940.2

    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