Octadecanoic acid, hexyl ester

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  • Identifiers

    CAS number
    3460-37-5

    Molecular formula
    C24H48O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 72.35%
    Fatty 69.73%
    Oily 65.48%
    Fruity 35.7%
    Sweet 31.98%
    Creamy 31.55%
    Odorless 30.65%
    Dairy 25.58%
    Soapy 23.58%
    Floral 23.05%

     

    Flavor
    Waxy 67.24%
    Fatty 51.91%
    Oily 47.49%
    Mild 44.81%
    Soapy 37.83%
    Coconut 36.13%
    Fat 35.99%
    Creamy 30.43%
    Bland 29.43%
    Faint 29.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.9

    pKa est.
    7.64 (neutral)

    Molecular weight
    368.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    420°C

    Flash point

    • 186.36 ˚C est.

  • Synonyms

    • Hexyl stearate
    • 3460-37-5
    • Stearic acid, hexyl ester
    • n-Hexyl stearate
    • Octadecanoic acid, hexyl ester
    • EINECS 222-406-9
    • AI3-31551
    • DTXSID8063042
    • RefChem:855709
    • DTXCID0038881
    • 222-406-9
    • Hexyl octadecanoate
    • WE(6:0/18:0)
    • hexylstearat
    • OCTADECANOIC ACID HEXYL ESTER
    • Stearic acid, n-hexyl ester
    • SCHEMBL33578
    • CHEBI:180073
    • LMFA07010475
    • NS00029694
    • Q63399730
    • 3460-37-5

  • Applications

    Octadecanoic acid, hexyl ester (CAS 3460-37-5) is commonly used as an emollient and solvent in cosmetics and personal care formulations, providing slip and a vehicle for lipophilic active ingredients. In fragrance applications, it can serve as a carrier solvent and diluent for essential oils and fragrance oils, helping to stabilize and blend ingredients. In topical pharmaceutical formulations it is used as an inert emollient/solvent base for creams and ointments, aiding spreadability and patient feel. It also finds use as a plasticizer and processing aid in certain polymer and coating formulations, helping modify rheology and flexibility. In coatings and inks, it can act as a low-volatility diluent or plasticizer to optimize film formation. Additionally, as a fatty ester, it may be evaluated as a component in specialty lubricants or as a formulation additive in industrial manufacturing, subject to regulatory and compatibility considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.3
    methanol 36.99
    isopropanol 47.28
    water 0.09
    ethyl acetate 536.14
    n-propanol 57.62
    acetone 254.83
    n-butanol 84.19
    acetonitrile 99.61
    DMF 388.27
    toluene 197.44
    isobutanol 76.03
    1,4-dioxane 428.82
    methyl acetate 282.59
    THF 1086.7
    2-butanone 394.95
    n-pentanol 67.85
    sec-butanol 92.5
    n-hexane 61.23
    ethylene glycol 3.69
    NMP 1329.98
    cyclohexane 417.48
    DMSO 459.99
    n-butyl acetate 630.8
    n-octanol 142.2
    chloroform 1357.27
    n-propyl acetate 668.85
    acetic acid 121.19
    dichloromethane 1520.57
    cyclohexanone 1534.23
    propylene glycol 11.63
    isopropyl acetate 560.48
    DMAc 901.1
    2-ethoxyethanol 156.11
    isopentanol 135.35
    n-heptane 77.36
    ethyl formate 189.6
    1,2-dichloroethane 1026.24
    n-hexanol 73.36
    2-methoxyethanol 150.14
    isobutyl acetate 445.48
    tetrachloromethane 406.7
    n-pentyl acetate 1062.52
    transcutol 1107.62
    n-heptanol 113.56
    ethylbenzene 158.39
    MIBK 512.97
    2-propoxyethanol 177.46
    tert-butanol 128.86
    MTBE 328.11
    2-butoxyethanol 301.01
    propionic acid 140.28
    o-xylene 210.06
    formic acid 21.52
    diethyl ether 257.0
    m-xylene 167.48
    p-xylene 267.39
    chlorobenzene 439.72
    dimethyl carbonate 121.19
    n-octane 41.55
    formamide 54.74
    cyclopentanone 1305.19
    2-pentanone 490.47
    anisole 335.86
    cyclopentyl methyl ether 768.11
    gamma-butyrolactone 1166.97
    1-methoxy-2-propanol 186.68
    pyridine 555.04
    3-pentanone 451.39
    furfural 738.34
    n-dodecane 20.33
    diethylene glycol 57.13
    diisopropyl ether 182.31
    tert-amyl alcohol 195.29
    acetylacetone 681.33
    n-hexadecane 26.33
    acetophenone 483.61
    methyl propionate 349.81
    isopentyl acetate 646.16
    trichloroethylene 1684.19
    n-nonanol 149.94
    cyclohexanol 319.18
    benzyl alcohol 148.26
    2-ethylhexanol 140.05
    isooctanol 141.49
    dipropyl ether 388.54
    1,2-dichlorobenzene 637.33
    ethyl lactate 183.31
    propylene carbonate 710.51
    n-methylformamide 128.57
    2-pentanol 95.94
    n-pentane 38.47
    1-propoxy-2-propanol 260.37
    1-methoxy-2-propyl acetate 532.06
    2-(2-methoxypropoxy) propanol 288.11
    mesitylene 157.07
    ε-caprolactone 1309.79
    p-cymene 158.12
    epichlorohydrin 1153.74
    1,1,1-trichloroethane 1289.15
    2-aminoethanol 16.51
    morpholine-4-carbaldehyde 781.87
    sulfolane 1960.73
    2,2,4-trimethylpentane 52.5
    2-methyltetrahydrofuran 963.89
    n-hexyl acetate 851.04
    isooctane 28.33
    2-(2-butoxyethoxy)ethanol 379.57
    sec-butyl acetate 565.42
    tert-butyl acetate 797.74
    decalin 120.68
    glycerin 24.25
    diglyme 1092.16
    acrylic acid 92.38
    isopropyl myristate 269.94
    n-butyric acid 378.69
    acetyl acetate 392.16
    di(2-ethylhexyl) phthalate 178.99
    ethyl propionate 576.66
    nitromethane 367.2
    1,2-diethoxyethane 675.08
    benzonitrile 266.97
    trioctyl phosphate 142.16
    1-bromopropane 553.51
    gamma-valerolactone 1559.48
    n-decanol 92.65
    triethyl phosphate 349.31
    4-methyl-2-pentanol 92.39
    propionitrile 135.32
    vinylene carbonate 523.56
    1,1,2-trichlorotrifluoroethane 636.74
    DMS 392.51
    cumene 127.41
    2-octanol 138.12
    2-hexanone 485.91
    octyl acetate 316.28
    limonene 331.01
    1,2-dimethoxyethane 632.84
    ethyl orthosilicate 346.06
    tributyl phosphate 213.78
    diacetone alcohol 490.29
    N,N-dimethylaniline 246.93
    acrylonitrile 134.37
    aniline 178.93
    1,3-propanediol 43.48
    bromobenzene 576.35
    dibromomethane 956.01
    1,1,2,2-tetrachloroethane 1669.04
    2-methyl-cyclohexyl acetate 563.65
    tetrabutyl urea 348.38
    diisobutyl methanol 135.57
    2-phenylethanol 141.15
    styrene 190.33
    dioctyl adipate 442.17
    dimethyl sulfate 318.37
    ethyl butyrate 713.27
    methyl lactate 121.5
    butyl lactate 470.59
    diethyl carbonate 362.77
    propanediol butyl ether 209.9
    triethyl orthoformate 543.61
    p-tert-butyltoluene 143.78
    methyl 4-tert-butylbenzoate 573.3
    morpholine 563.37
    tert-butylamine 103.64
    n-dodecanol 64.84
    dimethoxymethane 263.05
    ethylene carbonate 508.36
    cyrene 324.1
    2-ethoxyethyl acetate 891.64
    2-ethylhexyl acetate 612.05
    1,2,4-trichlorobenzene 731.12
    4-methylpyridine 570.72
    dibutyl ether 549.84
    2,6-dimethyl-4-heptanol 135.57
    DEF 733.38
    dimethyl isosorbide 772.01
    tetrachloroethylene 1074.08
    eugenol 353.38
    triacetin 831.7
    span 80 306.4
    1,4-butanediol 20.52
    1,1-dichloroethane 780.66
    2-methyl-1-pentanol 113.14
    methyl formate 97.44
    2-methyl-1-butanol 123.02
    n-decane 53.45
    butyronitrile 183.02
    3,7-dimethyl-1-octanol 171.96
    1-chlorooctane 254.37
    1-chlorotetradecane 72.37
    n-nonane 53.22
    undecane 30.24
    tert-butylcyclohexane 78.5
    cyclooctane 98.74
    cyclopentanol 275.59
    tetrahydropyran 799.35
    tert-amyl methyl ether 377.45
    2,5,8-trioxanonane 541.51
    1-hexene 130.43
    2-isopropoxyethanol 170.29
    2,2,2-trifluoroethanol 83.73
    methyl butyrate 816.3

    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