Octadecanoic acid, (6E,10Z)-5,8,9,12-tetrahydro-4-methoxy-7,11-dimethyl-1-benzocyclodecenyl ester

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  • Identifiers

    CAS number
    156980-40-4

    Molecular formula
    C35H56O3

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC1=C2C/C(=C\CC/C(=C/CC2=C(C=C1)OC)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 55.72%
    Floral 52.08%
    Balsamic 42.35%
    Sweet 40.01%
    Fatty 35.86%
    Oily 33.9%
    Spicy 31.63%
    Woody 29.82%
    Powdery 25.51%
    Animal 24.31%

     

    Flavor
    Waxy 32.77%
    Oily 30.91%
    Mild 30.67%
    Herbal 30.56%
    Woody 30.49%
    Fatty 28.71%
    Bland 25.13%
    Faint 24.68%
    Balsam 24.13%
    Slightly waxy 22.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.3

    pKa est.
    6.23 (neutral)

    Molecular weight
    524.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    633°C

    Flash point

    • 236.9 ˚C est.

  • Synonyms

    • 156980-40-4
    • Octadecanoic acid, (6E,10Z)-5,8,9,12-tetrahydro-4-methoxy-7,11-dimethyl-1-benzocyclodecenyl ester
    • ((6E,10Z)-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo(10)annulen-1-yl) octadecanoate
    • [(6E,10Z)-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-yl] octadecanoate
    • RefChem:167603
    • DTXSID501115621
    • (6E,10Z)-4-Methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-yl octadecanoate
    • 156980-40-4

  • Applications

    Octadecanoic acid, (6E,10Z)-5,8,9,12-tetrahydro-4-methoxy-7,11-dimethyl-1-benzocyclodecenyl ester (CAS 156980-40-4) is used in perfumery and cosmetics as a fragrance ingredient and fixative, contributing a long-lasting aroma to fragrance formulations and personal care products. It also appears in household products such as air fresheners and cleaners to provide a persistent scent. In industrial manufacturing, it may be evaluated as a specialty aroma ester or odor-enhancing additive in sensory-driven formulations and can serve as a component in coatings, inks, or adhesives where fragrance performance is desired. Its usage is subject to formulation limits and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.98
    methanol 35.06
    isopropanol 63.16
    water 0.4
    ethyl acetate 679.33
    n-propanol 94.53
    acetone 315.42
    n-butanol 106.33
    acetonitrile 115.19
    DMF 326.78
    toluene 363.23
    isobutanol 93.46
    1,4-dioxane 401.4
    methyl acetate 431.61
    THF 744.52
    2-butanone 461.81
    n-pentanol 103.72
    sec-butanol 127.36
    n-hexane 66.47
    ethylene glycol 5.13
    NMP 1018.13
    cyclohexane 173.2
    DMSO 259.83
    n-butyl acetate 392.9
    n-octanol 80.62
    chloroform 1664.82
    n-propyl acetate 452.35
    acetic acid 224.81
    dichloromethane 1777.32
    cyclohexanone 1038.9
    propylene glycol 14.9
    isopropyl acetate 499.34
    DMAc 980.8
    2-ethoxyethanol 156.14
    isopentanol 124.17
    n-heptane 39.59
    ethyl formate 201.8
    1,2-dichloroethane 1076.94
    n-hexanol 84.85
    2-methoxyethanol 125.89
    isobutyl acetate 294.78
    tetrachloromethane 421.99
    n-pentyl acetate 556.07
    transcutol 603.79
    n-heptanol 95.06
    ethylbenzene 197.73
    MIBK 333.01
    2-propoxyethanol 173.61
    tert-butanol 98.01
    MTBE 294.72
    2-butoxyethanol 222.64
    propionic acid 231.29
    o-xylene 272.93
    formic acid 36.61
    diethyl ether 328.06
    m-xylene 227.26
    p-xylene 260.94
    chlorobenzene 613.69
    dimethyl carbonate 291.3
    n-octane 20.96
    formamide 70.99
    cyclopentanone 891.98
    2-pentanone 485.84
    anisole 322.58
    cyclopentyl methyl ether 625.89
    gamma-butyrolactone 1002.72
    1-methoxy-2-propanol 157.79
    pyridine 557.7
    3-pentanone 527.89
    furfural 566.64
    n-dodecane 11.36
    diethylene glycol 53.72
    diisopropyl ether 154.17
    tert-amyl alcohol 171.11
    acetylacetone 622.85
    n-hexadecane 13.96
    acetophenone 414.37
    methyl propionate 557.88
    isopentyl acetate 380.01
    trichloroethylene 1912.06
    n-nonanol 91.15
    cyclohexanol 271.45
    benzyl alcohol 180.5
    2-ethylhexanol 104.9
    isooctanol 102.1
    dipropyl ether 222.62
    1,2-dichlorobenzene 679.44
    ethyl lactate 154.04
    propylene carbonate 621.68
    n-methylformamide 135.56
    2-pentanol 123.73
    n-pentane 54.01
    1-propoxy-2-propanol 181.62
    1-methoxy-2-propyl acetate 416.96
    2-(2-methoxypropoxy) propanol 199.55
    mesitylene 145.58
    ε-caprolactone 1084.5
    p-cymene 102.47
    epichlorohydrin 1088.5
    1,1,1-trichloroethane 1266.27
    2-aminoethanol 21.84
    morpholine-4-carbaldehyde 606.6
    sulfolane 1092.85
    2,2,4-trimethylpentane 47.7
    2-methyltetrahydrofuran 776.42
    n-hexyl acetate 453.08
    isooctane 20.31
    2-(2-butoxyethoxy)ethanol 241.2
    sec-butyl acetate 397.91
    tert-butyl acetate 494.35
    decalin 75.59
    glycerin 25.0
    diglyme 587.86
    acrylic acid 178.86
    isopropyl myristate 140.65
    n-butyric acid 401.8
    acetyl acetate 514.04
    di(2-ethylhexyl) phthalate 134.44
    ethyl propionate 469.18
    nitromethane 433.25
    1,2-diethoxyethane 409.28
    benzonitrile 235.73
    trioctyl phosphate 92.86
    1-bromopropane 622.23
    gamma-valerolactone 1023.28
    n-decanol 57.62
    triethyl phosphate 221.79
    4-methyl-2-pentanol 83.47
    propionitrile 154.2
    vinylene carbonate 520.04
    1,1,2-trichlorotrifluoroethane 642.57
    DMS 422.53
    cumene 125.65
    2-octanol 87.38
    2-hexanone 362.29
    octyl acetate 187.53
    limonene 176.26
    1,2-dimethoxyethane 335.23
    ethyl orthosilicate 222.83
    tributyl phosphate 131.42
    diacetone alcohol 306.83
    N,N-dimethylaniline 233.79
    acrylonitrile 154.87
    aniline 283.59
    1,3-propanediol 49.11
    bromobenzene 762.35
    dibromomethane 1077.84
    1,1,2,2-tetrachloroethane 1725.9
    2-methyl-cyclohexyl acetate 297.94
    tetrabutyl urea 174.85
    diisobutyl methanol 71.1
    2-phenylethanol 153.95
    styrene 243.94
    dioctyl adipate 233.84
    dimethyl sulfate 511.52
    ethyl butyrate 368.98
    methyl lactate 165.24
    butyl lactate 283.53
    diethyl carbonate 247.86
    propanediol butyl ether 115.74
    triethyl orthoformate 303.82
    p-tert-butyltoluene 93.81
    methyl 4-tert-butylbenzoate 355.88
    morpholine 461.81
    tert-butylamine 75.91
    n-dodecanol 40.45
    dimethoxymethane 309.7
    ethylene carbonate 519.97
    cyrene 238.32
    2-ethoxyethyl acetate 659.24
    2-ethylhexyl acetate 362.41
    1,2,4-trichlorobenzene 843.58
    4-methylpyridine 621.64
    dibutyl ether 208.49
    2,6-dimethyl-4-heptanol 71.1
    DEF 680.33
    dimethyl isosorbide 438.79
    tetrachloroethylene 1034.69
    eugenol 259.7
    triacetin 518.7
    span 80 191.42
    1,4-butanediol 26.37
    1,1-dichloroethane 923.89
    2-methyl-1-pentanol 142.09
    methyl formate 121.18
    2-methyl-1-butanol 146.81
    n-decane 25.17
    butyronitrile 166.97
    3,7-dimethyl-1-octanol 93.6
    1-chlorooctane 122.03
    1-chlorotetradecane 39.4
    n-nonane 23.16
    undecane 15.65
    tert-butylcyclohexane 50.65
    cyclooctane 61.2
    cyclopentanol 220.83
    tetrahydropyran 669.78
    tert-amyl methyl ether 342.7
    2,5,8-trioxanonane 322.07
    1-hexene 159.29
    2-isopropoxyethanol 160.62
    2,2,2-trifluoroethanol 152.22
    methyl butyrate 549.52

    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