9-Octadecenoic acid (9Z)-, [4-[(2Z)-3,7-dimethyl-2,6-octadienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester

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  • Identifiers

    CAS number
    157207-55-1

    Molecular formula
    C37H58O5

    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)CC=C(C)CCC=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 61.37%
    Waxy 52.39%
    Balsamic 39.84%
    Oily 36.84%
    Sweet 35.84%
    Rose 32.9%
    Fatty 32.37%
    Fruity 29.62%
    Fresh 29.39%
    Woody 27.56%

     

    Flavor
    Herbal 36.03%
    Woody 26.2%
    Balsam 25.68%
    Mild 25.61%
    Bland 23.73%
    Warm 23.62%
    Faint 23.39%
    Waxy 22.47%
    Oily 22.03%
    Jasmin 21.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.5

    pKa est.
    4.06 (weak acid)

    Molecular weight
    582.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    767°C

    Flash point

    • 205.52 ˚C est.

  • Synonyms

    • DTXSID501107602
    • 157207-55-1
    • 9-Octadecenoic acid (9Z)-, [4-[(2Z)-3,7-dimethyl-2,6-octadienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester
    • 157207-55-1

  • Applications

    9-Octadecenoic acid (9Z)-, [4-[(2Z)-3,7-dimethyl-2,6-octadienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester (CAS 157207-55-1) is a bulky, lipophilic ester commonly evaluated for use in fragrance and perfumery as a fragrance component and potential fixative; in cosmetics and personal care it may function as an emollient or formulation modifier; in polymer and coating formulations it can act as a plasticizer or texture modifier; in industrial manufacturing it serves as an intermediate for the synthesis of aroma or specialty ester products; and it may appear as a chemical intermediate or additive in fragrance and flavor ingredient supply chains, with use subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.35
    methanol 26.65
    isopropanol 25.48
    water 0.04
    ethyl acetate 150.61
    n-propanol 43.29
    acetone 141.86
    n-butanol 38.3
    acetonitrile 33.86
    DMF 160.63
    toluene 71.66
    isobutanol 30.46
    1,4-dioxane 124.95
    methyl acetate 124.81
    THF 365.12
    2-butanone 181.82
    n-pentanol 36.77
    sec-butanol 46.81
    n-hexane 4.68
    ethylene glycol 2.2
    NMP 405.23
    cyclohexane 9.82
    DMSO 201.61
    n-butyl acetate 64.08
    n-octanol 16.09
    chloroform 503.21
    n-propyl acetate 93.67
    acetic acid 138.65
    dichloromethane 491.01
    cyclohexanone 310.67
    propylene glycol 7.88
    isopropyl acetate 92.01
    DMAc 475.93
    2-ethoxyethanol 69.06
    isopentanol 33.38
    n-heptane 2.49
    ethyl formate 63.68
    1,2-dichloroethane 277.84
    n-hexanol 22.27
    2-methoxyethanol 65.81
    isobutyl acetate 51.77
    tetrachloromethane 73.99
    n-pentyl acetate 83.67
    transcutol 203.81
    n-heptanol 19.94
    ethylbenzene 34.49
    MIBK 70.16
    2-propoxyethanol 62.98
    tert-butanol 33.38
    MTBE 61.87
    2-butoxyethanol 63.82
    propionic acid 82.74
    o-xylene 46.43
    formic acid 22.37
    diethyl ether 63.14
    m-xylene 35.12
    p-xylene 43.1
    chlorobenzene 120.35
    dimethyl carbonate 76.3
    n-octane 1.5
    formamide 39.63
    cyclopentanone 349.78
    2-pentanone 140.57
    anisole 74.51
    cyclopentyl methyl ether 134.76
    gamma-butyrolactone 340.12
    1-methoxy-2-propanol 70.25
    pyridine 174.53
    3-pentanone 137.89
    furfural 191.82
    n-dodecane 0.96
    diethylene glycol 20.81
    diisopropyl ether 16.84
    tert-amyl alcohol 52.2
    acetylacetone 180.29
    n-hexadecane 1.15
    acetophenone 103.19
    methyl propionate 144.41
    isopentyl acetate 62.71
    trichloroethylene 621.72
    n-nonanol 18.39
    cyclohexanol 62.44
    benzyl alcohol 57.78
    2-ethylhexanol 18.22
    isooctanol 19.52
    dipropyl ether 32.08
    1,2-dichlorobenzene 129.65
    ethyl lactate 43.11
    propylene carbonate 172.36
    n-methylformamide 65.1
    2-pentanol 31.33
    n-pentane 3.85
    1-propoxy-2-propanol 51.68
    1-methoxy-2-propyl acetate 92.1
    2-(2-methoxypropoxy) propanol 62.13
    mesitylene 17.98
    ε-caprolactone 277.16
    p-cymene 14.3
    epichlorohydrin 401.44
    1,1,1-trichloroethane 288.49
    2-aminoethanol 10.91
    morpholine-4-carbaldehyde 207.51
    sulfolane 446.43
    2,2,4-trimethylpentane 4.06
    2-methyltetrahydrofuran 207.13
    n-hexyl acetate 76.78
    isooctane 1.62
    2-(2-butoxyethoxy)ethanol 76.44
    sec-butyl acetate 71.67
    tert-butyl acetate 99.96
    decalin 6.36
    glycerin 12.24
    diglyme 170.58
    acrylic acid 69.78
    isopropyl myristate 22.38
    n-butyric acid 133.08
    acetyl acetate 110.21
    di(2-ethylhexyl) phthalate 30.19
    ethyl propionate 96.41
    nitromethane 231.26
    1,2-diethoxyethane 71.92
    benzonitrile 53.69
    trioctyl phosphate 19.47
    1-bromopropane 125.54
    gamma-valerolactone 387.04
    n-decanol 11.29
    triethyl phosphate 42.0
    4-methyl-2-pentanol 17.34
    propionitrile 43.03
    vinylene carbonate 147.96
    1,1,2-trichlorotrifluoroethane 261.03
    DMS 77.98
    cumene 20.37
    2-octanol 15.32
    2-hexanone 96.07
    octyl acetate 33.27
    limonene 23.77
    1,2-dimethoxyethane 122.28
    ethyl orthosilicate 39.34
    tributyl phosphate 26.41
    diacetone alcohol 91.66
    N,N-dimethylaniline 51.83
    acrylonitrile 51.85
    aniline 76.02
    1,3-propanediol 21.12
    bromobenzene 134.47
    dibromomethane 266.59
    1,1,2,2-tetrachloroethane 519.03
    2-methyl-cyclohexyl acetate 57.99
    tetrabutyl urea 38.24
    diisobutyl methanol 11.38
    2-phenylethanol 39.33
    styrene 43.05
    dioctyl adipate 45.78
    dimethyl sulfate 154.49
    ethyl butyrate 64.02
    methyl lactate 57.08
    butyl lactate 62.53
    diethyl carbonate 42.67
    propanediol butyl ether 36.57
    triethyl orthoformate 51.08
    p-tert-butyltoluene 13.39
    methyl 4-tert-butylbenzoate 86.08
    morpholine 170.57
    tert-butylamine 17.22
    n-dodecanol 7.39
    dimethoxymethane 124.74
    ethylene carbonate 126.98
    cyrene 87.38
    2-ethoxyethyl acetate 132.43
    2-ethylhexyl acetate 51.69
    1,2,4-trichlorobenzene 172.75
    4-methylpyridine 157.05
    dibutyl ether 27.0
    2,6-dimethyl-4-heptanol 11.38
    DEF 174.04
    dimethyl isosorbide 126.23
    tetrachloroethylene 282.25
    eugenol 67.52
    triacetin 111.47
    span 80 55.21
    1,4-butanediol 10.72
    1,1-dichloroethane 235.43
    2-methyl-1-pentanol 41.14
    methyl formate 53.18
    2-methyl-1-butanol 42.75
    n-decane 2.25
    butyronitrile 43.01
    3,7-dimethyl-1-octanol 17.69
    1-chlorooctane 15.83
    1-chlorotetradecane 4.61
    n-nonane 1.91
    undecane 1.36
    tert-butylcyclohexane 4.49
    cyclooctane 3.19
    cyclopentanol 67.49
    tetrahydropyran 174.29
    tert-amyl methyl ether 67.63
    2,5,8-trioxanonane 97.86
    1-hexene 22.01
    2-isopropoxyethanol 54.57
    2,2,2-trifluoroethanol 54.44
    methyl butyrate 125.73

    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