Dihydrocapsiate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    205687-03-2

    Molecular formula
    C18H28O4

    SMILES
    CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 42.89%
    Balsamic 42.51%
    Floral 38.73%
    Spicy 38.4%
    Vanilla 33.98%
    Odorless 32.52%
    Woody 29.12%
    Warm 28.0%
    Fruity 27.09%
    Herbal 25.79%

     

    Flavor
    Herbal 42.35%
    Woody 37.71%
    Warm 32.45%
    Oily 32.28%
    Mild 29.94%
    Bland 28.02%
    Spicy 27.85%
    Soapy 26.4%
    Spice 25.68%
    Waxy 24.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.74 (weak base)

    Molecular weight
    308.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    396°C

    Flash point

    • 165.18 ˚C est.

  • Synonyms

    • dihydrocapsiate
    • 205687-03-2
    • (4-HYDROXY-3-METHOXYPHENYL)METHYL 8-METHYLNONANOATE
    • Nonanoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester
    • W2F7769AEU
    • DTXSID80174576
    • RefChem:133747
    • DTXCID2097067
    • 859-192-7
    • 4-Hydroxy-3-methoxybenzyl 8-methylnonanoate
    • MFCD29917840
    • UNII-W2F7769AEU
    • CCRIS 9424
    • Vanillyl 8-methylnonanoate
    • Dihydrocapsiate (Standard)
    • (4-hydroxy-3-methoxy-phenyl)methyl 8-methylnonanoate
    • orb1689288
    • SCHEMBL1585862
    • CHEBI:174951
    • Dihydrocapsiate, analytical standard
    • DB15398
    • FD71845
    • HY-124073R
    • MS-24475
    • 4-Hydroxy-3-methoxybenzyl8-methylnonanoate
    • HY-124073
    • CS-0084100
    • NS00124899
    • G14634
    • (4-HYDROXY-3-METHOXYBENZYL) 8-METHYLNONANOATE
    • Q27292214
    • 8-Methylnonanoic Acid (4-Hydroxy-3-methoxyphenyl)methyl Ester
    • 205687-03-2

  • Applications

    Dihydrocapsiate, CAS 205687-03-2, is a capsaicinoid analogue with several practical applications. In food and beverages, it is evaluated as a heat-producing flavor modifier to deliver controlled spiciness, potentially serving as a milder alternative to capsaicin in processed products. In cosmetics and personal care, it may provide a mild warming sensation in topical formulations and can be considered when formulating products with sensory heat or related fragrance systems. In agriculture and pest management, capsaicinoid-type compounds, including dihydrocapsiate, are being evaluated as natural deterrents in protective sprays for crops or home use. In industrial chemical synthesis, it can serve as an intermediate or building block for the preparation of capsaicinoid derivatives and related materials. In research and pharmaceutical contexts, it is sometimes used as a reference compound for studies on TRPV1 receptors and related mechanisms. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2584.01
    methanol 3566.28
    isopropanol 1300.64
    water 0.16
    ethyl acetate 3077.3
    n-propanol 1393.58
    acetone 3373.99
    n-butanol 819.48
    acetonitrile 1527.19
    DMF 1288.02
    toluene 160.0
    isobutanol 646.0
    1,4-dioxane 1474.76
    methyl acetate 1788.87
    THF 2236.21
    2-butanone 1605.92
    n-pentanol 379.8
    sec-butanol 724.79
    n-hexane 2.21
    ethylene glycol 91.3
    NMP 478.03
    cyclohexane 13.05
    DMSO 2923.1
    n-butyl acetate 520.85
    n-octanol 79.67
    chloroform 1391.16
    n-propyl acetate 791.18
    acetic acid 1308.22
    dichloromethane 1710.64
    cyclohexanone 1233.82
    propylene glycol 256.09
    isopropyl acetate 1109.68
    DMAc 1058.82
    2-ethoxyethanol 1160.09
    isopentanol 554.2
    n-heptane 2.15
    ethyl formate 794.83
    1,2-dichloroethane 1430.71
    n-hexanol 224.11
    2-methoxyethanol 2381.17
    isobutyl acetate 373.19
    tetrachloromethane 108.57
    n-pentyl acetate 293.65
    transcutol 2062.08
    n-heptanol 91.63
    ethylbenzene 73.62
    MIBK 561.75
    2-propoxyethanol 697.21
    tert-butanol 1344.01
    MTBE 1092.07
    2-butoxyethanol 316.51
    propionic acid 768.57
    o-xylene 102.97
    formic acid 320.24
    diethyl ether 875.38
    m-xylene 107.58
    p-xylene 105.02
    chlorobenzene 292.51
    dimethyl carbonate 321.92
    n-octane 2.64
    formamide 902.84
    cyclopentanone 1459.55
    2-pentanone 1400.18
    anisole 276.21
    cyclopentyl methyl ether 597.1
    gamma-butyrolactone 1523.57
    1-methoxy-2-propanol 1379.11
    pyridine 647.6
    3-pentanone 630.29
    furfural 830.57
    n-dodecane 3.33
    diethylene glycol 481.57
    diisopropyl ether 117.82
    tert-amyl alcohol 775.58
    acetylacetone 1498.66
    n-hexadecane 3.85
    acetophenone 304.01
    methyl propionate 1217.48
    isopentyl acetate 433.26
    trichloroethylene 1897.86
    n-nonanol 75.06
    cyclohexanol 427.46
    benzyl alcohol 260.14
    2-ethylhexanol 95.8
    isooctanol 85.55
    dipropyl ether 107.68
    1,2-dichlorobenzene 255.81
    ethyl lactate 218.35
    propylene carbonate 687.85
    n-methylformamide 1067.56
    2-pentanol 389.39
    n-pentane 2.15
    1-propoxy-2-propanol 404.93
    1-methoxy-2-propyl acetate 557.3
    2-(2-methoxypropoxy) propanol 269.63
    mesitylene 62.77
    ε-caprolactone 1016.65
    p-cymene 44.79
    epichlorohydrin 2104.52
    1,1,1-trichloroethane 856.06
    2-aminoethanol 433.09
    morpholine-4-carbaldehyde 747.79
    sulfolane 1196.13
    2,2,4-trimethylpentane 7.55
    2-methyltetrahydrofuran 1159.95
    n-hexyl acetate 295.82
    isooctane 5.71
    2-(2-butoxyethoxy)ethanol 449.99
    sec-butyl acetate 446.09
    tert-butyl acetate 876.97
    decalin 9.55
    glycerin 267.29
    diglyme 984.55
    acrylic acid 424.05
    isopropyl myristate 88.41
    n-butyric acid 1482.05
    acetyl acetate 917.15
    di(2-ethylhexyl) phthalate 92.41
    ethyl propionate 569.46
    nitromethane 3124.33
    1,2-diethoxyethane 572.08
    benzonitrile 290.69
    trioctyl phosphate 64.82
    1-bromopropane 439.66
    gamma-valerolactone 1740.79
    n-decanol 52.93
    triethyl phosphate 114.49
    4-methyl-2-pentanol 171.84
    propionitrile 675.63
    vinylene carbonate 529.69
    1,1,2-trichlorotrifluoroethane 846.6
    DMS 305.13
    cumene 48.71
    2-octanol 67.08
    2-hexanone 499.92
    octyl acetate 121.18
    limonene 66.62
    1,2-dimethoxyethane 1364.76
    ethyl orthosilicate 109.16
    tributyl phosphate 90.6
    diacetone alcohol 823.51
    N,N-dimethylaniline 128.37
    acrylonitrile 752.25
    aniline 282.11
    1,3-propanediol 925.08
    bromobenzene 282.39
    dibromomethane 915.18
    1,1,2,2-tetrachloroethane 1410.72
    2-methyl-cyclohexyl acetate 195.65
    tetrabutyl urea 107.1
    diisobutyl methanol 66.21
    2-phenylethanol 218.85
    styrene 100.4
    dioctyl adipate 154.01
    dimethyl sulfate 428.61
    ethyl butyrate 313.17
    methyl lactate 331.21
    butyl lactate 220.35
    diethyl carbonate 202.39
    propanediol butyl ether 268.08
    triethyl orthoformate 171.41
    p-tert-butyltoluene 45.22
    methyl 4-tert-butylbenzoate 229.19
    morpholine 2108.78
    tert-butylamine 374.0
    n-dodecanol 38.63
    dimethoxymethane 1318.37
    ethylene carbonate 546.11
    cyrene 237.13
    2-ethoxyethyl acetate 532.08
    2-ethylhexyl acetate 267.36
    1,2,4-trichlorobenzene 297.85
    4-methylpyridine 578.46
    dibutyl ether 121.28
    2,6-dimethyl-4-heptanol 66.21
    DEF 881.98
    dimethyl isosorbide 444.03
    tetrachloroethylene 769.56
    eugenol 222.68
    triacetin 349.96
    span 80 197.88
    1,4-butanediol 249.05
    1,1-dichloroethane 1260.26
    2-methyl-1-pentanol 283.41
    methyl formate 720.7
    2-methyl-1-butanol 462.25
    n-decane 5.63
    butyronitrile 676.59
    3,7-dimethyl-1-octanol 103.08
    1-chlorooctane 48.65
    1-chlorotetradecane 16.84
    n-nonane 4.66
    undecane 4.14
    tert-butylcyclohexane 8.89
    cyclooctane 3.18
    cyclopentanol 470.38
    tetrahydropyran 1336.32
    tert-amyl methyl ether 450.35
    2,5,8-trioxanonane 546.04
    1-hexene 32.06
    2-isopropoxyethanol 606.43
    2,2,2-trifluoroethanol 355.93
    methyl butyrate 797.3

    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