Capsiate

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  • Identifiers

    CAS number
    205687-01-0

    Molecular formula
    C18H26O4

    SMILES
    CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 49.0%
    Sweet 47.96%
    Balsamic 45.6%
    Spicy 45.47%
    Herbal 35.67%
    Fruity 33.99%
    Woody 32.09%
    Warm 31.84%
    Vanilla 29.44%
    Fresh 26.41%

     

    Flavor
    Herbal 45.35%
    Woody 37.94%
    Floral 36.92%
    Warm 34.07%
    Oily 31.62%
    Spicy 30.98%
    Fruity 27.07%
    Waxy 26.77%
    Spice 25.3%
    Mild 24.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.59 (weak base)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    391°C

    Flash point

    • 172.71 ˚C est.

  • Synonyms

    • capsiate
    • 205687-01-0
    • Capsiate Natura
    • (4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate
    • PX8I7HG5I3
    • (4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate
    • CHEBI:134190
    • DTXSID20174575
    • 6-nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (6E)-
    • RefChem:123323
    • DTXCID7097066
    • (E)-4-Hydroxy-3-methoxybenzyl 8-methylnon-6-enoate
    • (6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER
    • UNII-PX8I7HG5I3
    • E-capsiate
    • Capsiate (Standard)
    • orb1684070
    • SCHEMBL1585964
    • SCHEMBL29382265
    • HY-N8377R
    • (4-hydroxy-3-methoxy-phenyl)methyl (E)-8-methylnon-6-enoate
    • HY-N8377
    • MFCD28401009
    • vanillyl (6E)-8-methylnon-6-enoate
    • vanillyl trans-8-methyl-non-6-enoate
    • AKOS025147159
    • EBC-615965
    • FC45605
    • DA-71914
    • CS-0143769
    • C20203
    • E88102
    • 4-Hydroxy-3-methoxybenzyl 8-methyl-6-nonenoate
    • (E)-4-Hydroxy-3-methoxybenzyl8-methylnon-6-enoate
    • Q27286800
    • (E)-8-Methyl-6-nonenoic acid (4-hydroxy-3-methoxyphenyl)methyl ester
    • 6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)-
    • Capsiate; 6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)-; Capsiate; Capsiate Natura
    • 205687-01-0

  • Applications

    Capsiate, CAS 205687-01-0, is a non-pungent capsaicinoid analogue with multi-industry relevance, widely explored in nutraceuticals and product development. Typical applications include use in dietary supplement formulations in tablet or capsule forms as a non-pungent capsaicin analogue to study sensory properties and support formulation optimization; serving as a synthetic intermediate for capsaicinoid derivatives in R&D; participation in flavor-formulation research in food processing by providing a pepper-like aroma/flavor with reduced pungency; exploration in cosmetics and personal care as a sensory-modifying ingredient in topical product formulations; and use as a reference material or analytical standard in laboratories for capsaicinoid analysis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 627.56
    methanol 685.39
    isopropanol 404.23
    water 0.08
    ethyl acetate 783.53
    n-propanol 367.99
    acetone 922.73
    n-butanol 256.69
    acetonitrile 347.03
    DMF 345.78
    toluene 104.56
    isobutanol 192.88
    1,4-dioxane 617.56
    methyl acetate 472.2
    THF 1096.37
    2-butanone 475.63
    n-pentanol 162.21
    sec-butanol 282.81
    n-hexane 3.05
    ethylene glycol 28.83
    NMP 174.7
    cyclohexane 12.28
    DMSO 1070.85
    n-butyl acetate 178.39
    n-octanol 47.14
    chloroform 663.62
    n-propyl acetate 248.09
    acetic acid 400.12
    dichloromethane 719.22
    cyclohexanone 415.6
    propylene glycol 95.9
    isopropyl acetate 307.38
    DMAc 458.36
    2-ethoxyethanol 398.96
    isopentanol 188.5
    n-heptane 2.74
    ethyl formate 189.06
    1,2-dichloroethane 547.98
    n-hexanol 107.99
    2-methoxyethanol 607.46
    isobutyl acetate 139.83
    tetrachloromethane 52.41
    n-pentyl acetate 114.74
    transcutol 869.84
    n-heptanol 53.57
    ethylbenzene 48.33
    MIBK 197.22
    2-propoxyethanol 266.61
    tert-butanol 499.47
    MTBE 380.36
    2-butoxyethanol 150.93
    propionic acid 215.71
    o-xylene 61.83
    formic acid 82.7
    diethyl ether 361.66
    m-xylene 66.06
    p-xylene 62.27
    chlorobenzene 130.68
    dimethyl carbonate 119.13
    n-octane 2.98
    formamide 198.72
    cyclopentanone 503.49
    2-pentanone 409.14
    anisole 139.2
    cyclopentyl methyl ether 258.43
    gamma-butyrolactone 484.18
    1-methoxy-2-propanol 421.18
    pyridine 261.91
    3-pentanone 236.28
    furfural 294.4
    n-dodecane 3.55
    diethylene glycol 197.71
    diisopropyl ether 57.54
    tert-amyl alcohol 324.41
    acetylacetone 459.82
    n-hexadecane 3.98
    acetophenone 146.93
    methyl propionate 341.52
    isopentyl acetate 163.29
    trichloroethylene 718.34
    n-nonanol 46.84
    cyclohexanol 190.04
    benzyl alcohol 129.94
    2-ethylhexanol 53.92
    isooctanol 49.4
    dipropyl ether 60.35
    1,2-dichlorobenzene 118.74
    ethyl lactate 93.7
    propylene carbonate 224.3
    n-methylformamide 194.13
    2-pentanol 165.9
    n-pentane 2.72
    1-propoxy-2-propanol 164.8
    1-methoxy-2-propyl acetate 207.74
    2-(2-methoxypropoxy) propanol 147.11
    mesitylene 39.43
    ε-caprolactone 320.24
    p-cymene 29.38
    epichlorohydrin 702.32
    1,1,1-trichloroethane 344.86
    2-aminoethanol 107.84
    morpholine-4-carbaldehyde 285.07
    sulfolane 454.82
    2,2,4-trimethylpentane 7.11
    2-methyltetrahydrofuran 482.98
    n-hexyl acetate 132.73
    isooctane 4.95
    2-(2-butoxyethoxy)ethanol 218.04
    sec-butyl acetate 156.87
    tert-butyl acetate 284.01
    decalin 9.06
    glycerin 104.81
    diglyme 430.77
    acrylic acid 138.66
    isopropyl myristate 52.14
    n-butyric acid 359.43
    acetyl acetate 278.9
    di(2-ethylhexyl) phthalate 55.78
    ethyl propionate 186.22
    nitromethane 748.01
    1,2-diethoxyethane 238.43
    benzonitrile 123.04
    trioctyl phosphate 40.34
    1-bromopropane 213.65
    gamma-valerolactone 522.32
    n-decanol 35.58
    triethyl phosphate 63.17
    4-methyl-2-pentanol 78.2
    propionitrile 191.3
    vinylene carbonate 177.1
    1,1,2-trichlorotrifluoroethane 328.53
    DMS 138.52
    cumene 33.88
    2-octanol 38.65
    2-hexanone 190.87
    octyl acetate 67.63
    limonene 42.17
    1,2-dimethoxyethane 466.98
    ethyl orthosilicate 61.89
    tributyl phosphate 51.19
    diacetone alcohol 300.15
    N,N-dimethylaniline 80.55
    acrylonitrile 206.79
    aniline 133.41
    1,3-propanediol 242.92
    bromobenzene 135.34
    dibromomethane 440.6
    1,1,2,2-tetrachloroethane 581.18
    2-methyl-cyclohexyl acetate 97.34
    tetrabutyl urea 63.85
    diisobutyl methanol 40.87
    2-phenylethanol 109.36
    styrene 61.59
    dioctyl adipate 87.43
    dimethyl sulfate 177.97
    ethyl butyrate 125.68
    methyl lactate 120.97
    butyl lactate 98.05
    diethyl carbonate 88.99
    propanediol butyl ether 133.67
    triethyl orthoformate 86.14
    p-tert-butyltoluene 29.68
    methyl 4-tert-butylbenzoate 123.13
    morpholine 707.76
    tert-butylamine 164.33
    n-dodecanol 27.38
    dimethoxymethane 467.16
    ethylene carbonate 166.53
    cyrene 141.96
    2-ethoxyethyl acetate 204.61
    2-ethylhexyl acetate 111.93
    1,2,4-trichlorobenzene 138.75
    4-methylpyridine 228.06
    dibutyl ether 66.73
    2,6-dimethyl-4-heptanol 40.87
    DEF 250.43
    dimethyl isosorbide 237.19
    tetrachloroethylene 315.23
    eugenol 120.2
    triacetin 171.08
    span 80 111.61
    1,4-butanediol 89.41
    1,1-dichloroethane 486.84
    2-methyl-1-pentanol 135.83
    methyl formate 163.51
    2-methyl-1-butanol 165.2
    n-decane 5.64
    butyronitrile 203.7
    3,7-dimethyl-1-octanol 57.34
    1-chlorooctane 32.06
    1-chlorotetradecane 13.43
    n-nonane 4.7
    undecane 4.3
    tert-butylcyclohexane 8.24
    cyclooctane 3.32
    cyclopentanol 188.05
    tetrahydropyran 559.65
    tert-amyl methyl ether 198.27
    2,5,8-trioxanonane 280.48
    1-hexene 25.07
    2-isopropoxyethanol 244.0
    2,2,2-trifluoroethanol 101.92
    methyl butyrate 237.83

    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