3,13-Octadecadien-1-ol acetate, (3Z,13Z)-

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  • Identifiers

    CAS number
    53120-27-7

    Molecular formula
    C20H36O2

    SMILES
    CCCC/C=C\CCCCCCCC/C=C\CCOC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fatty 70.38%
    Fruity 58.15%
    Oily 55.7%
    Waxy 53.53%
    Citrus 37.95%
    Fresh 29.65%
    Herbal 27.67%
    Sweet 27.55%
    Floral 26.65%
    Green 26.32%

     

    Flavor
    Waxy 34.55%
    Fatty 21.77%
    Oily 21.65%
    Faint 21.34%
    Floral 21.33%
    Delicate 20.89%
    Low 20.43%
    Diterpene 20.28%
    Wax 20.19%
    Slightly waxy 20.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.61 (neutral)

    Molecular weight
    308.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 176.86 ˚C est.

  • Synonyms

    • (Z,Z)-3,13-Octadecadienyl acetate
    • Exitlure
    • Z,Z-Odda
    • (Z,Z)-3,13-Octadecadien-1-ol acetate
    • Caswell No. 609AB
    • (3Z,13Z)-Octadeca-3,13-dienyl acetate
    • 3,13-Octadecadien-1-ol, acetate
    • EINECS 258-374-8
    • EPA Pesticide Chemical Code 117201
    • BRN 2052227
    • S6L33RWR58
    • (Z,Z) 3,13-Octadecadien-1-ol acetate
    • AI3-36728
    • 3,13-Octadecadien-1-ol, acetate, (Z,Z)-
    • 3,13-Octadecadien-1-ol acetate, (3Z,13Z)-
    • 3,13-Octadecadien-1-ol, acetate, (3Z,13Z)-
    • 3,13-Octadecadien-1-ol, 1-acetate, (3Z,13Z)-
    • (Z,Z)-3,13-Octadecadien-1-yl acetate
    • 3-CIS-13-CIS-OCTADECADIENOL ACETATE
    • RefChem:484815
    • 53120-27-7
    • [(3Z,13Z)-octadeca-3,13-dienyl] acetate
    • (3Z,13Z)-OCTADECA-3,13-DIEN-1-YL ACETATE
    • 3Z,13Z-Octadecadienyl acetate
    • (3Z,13Z)-Octadecadien-1-yl Acetate
    • z,z-3,13-octadecadienyl acetate
    • (3Z,13Z)-3,13-Octadecadien-1-yl acetate
    • Z,Z-3,13-OCTADECADIENYLACETATE
    • (Z,Z)-3,13-octadecadienilo acetate
    • UNII-S6L33RWR58
    • MFCD00713465
    • (3Z,13Z)-3,13-octadecadien-1-ol acetate
    • orb1941257
    • SCHEMBL1301292
    • DTXSID2035302
    • CHEBI:180347
    • Z3Z13-18 Ac
    • LMFA07010393
    • Z,Z-3,13-Octadecadien-1-ol acetate
    • HY-W780790
    • DA-69313
    • SY275332
    • (3Z,13Z)-3,13-Octadecadienyl acetate #
    • CS-0856473
    • NS00067088
    • G66375
    • Q27288735
    • (Z,Z)-3,13-Octadecadienyl acetate CAS 53120-27-7
    • 53120-27-7

  • Applications

    3,13-Octadecadien-1-ol acetate, (3Z,13Z)- (CAS 53120-27-7) is a long-chain fatty alcohol ester commonly used in perfumery as a fragrance ingredient and fixative; in cosmetics/personal care it functions as an emollient and formulation component; in household products it can act as a fragrance additive and conditioning component; in polymers/plastics and coatings it may serve as a processing aid or plasticizer in specialty formulations; and in industrial manufacturing it can be an intermediate for synthesizing other ester derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.82
    methanol 80.81
    isopropanol 101.97
    water 0.01
    ethyl acetate 336.7
    n-propanol 111.65
    acetone 245.78
    n-butanol 132.72
    acetonitrile 73.22
    DMF 259.89
    toluene 139.67
    isobutanol 103.94
    1,4-dioxane 403.31
    methyl acetate 178.14
    THF 924.79
    2-butanone 304.1
    n-pentanol 122.38
    sec-butanol 134.88
    n-hexane 60.29
    ethylene glycol 3.96
    NMP 488.77
    cyclohexane 212.89
    DMSO 443.2
    n-butyl acetate 348.07
    n-octanol 77.64
    chloroform 807.96
    n-propyl acetate 385.93
    acetic acid 76.21
    dichloromethane 853.44
    cyclohexanone 772.77
    propylene glycol 17.85
    isopropyl acetate 310.37
    DMAc 527.58
    2-ethoxyethanol 212.33
    isopentanol 170.9
    n-heptane 47.4
    ethyl formate 107.85
    1,2-dichloroethane 611.47
    n-hexanol 114.34
    2-methoxyethanol 193.96
    isobutyl acetate 254.63
    tetrachloromethane 159.95
    n-pentyl acetate 340.26
    transcutol 1201.93
    n-heptanol 76.11
    ethylbenzene 119.78
    MIBK 313.0
    2-propoxyethanol 226.62
    tert-butanol 198.02
    MTBE 371.27
    2-butoxyethanol 184.21
    propionic acid 80.64
    o-xylene 125.33
    formic acid 13.01
    diethyl ether 355.92
    m-xylene 116.42
    p-xylene 156.91
    chlorobenzene 211.46
    dimethyl carbonate 53.03
    n-octane 18.0
    formamide 25.87
    cyclopentanone 633.49
    2-pentanone 363.8
    anisole 243.67
    cyclopentyl methyl ether 540.87
    gamma-butyrolactone 483.9
    1-methoxy-2-propanol 217.21
    pyridine 329.54
    3-pentanone 274.03
    furfural 343.13
    n-dodecane 10.71
    diethylene glycol 75.25
    diisopropyl ether 133.18
    tert-amyl alcohol 215.94
    acetylacetone 378.94
    n-hexadecane 13.25
    acetophenone 259.13
    methyl propionate 204.22
    isopentyl acetate 355.12
    trichloroethylene 861.93
    n-nonanol 81.78
    cyclohexanol 247.94
    benzyl alcohol 130.88
    2-ethylhexanol 126.52
    isooctanol 88.1
    dipropyl ether 309.67
    1,2-dichlorobenzene 250.89
    ethyl lactate 106.13
    propylene carbonate 269.63
    n-methylformamide 66.7
    2-pentanol 123.17
    n-pentane 35.53
    1-propoxy-2-propanol 242.93
    1-methoxy-2-propyl acetate 337.47
    2-(2-methoxypropoxy) propanol 231.41
    mesitylene 92.92
    ε-caprolactone 585.78
    p-cymene 84.14
    epichlorohydrin 698.29
    1,1,1-trichloroethane 567.08
    2-aminoethanol 22.44
    morpholine-4-carbaldehyde 415.95
    sulfolane 739.91
    2,2,4-trimethylpentane 33.3
    2-methyltetrahydrofuran 734.76
    n-hexyl acetate 352.84
    isooctane 20.1
    2-(2-butoxyethoxy)ethanol 311.13
    sec-butyl acetate 305.4
    tert-butyl acetate 411.53
    decalin 76.87
    glycerin 29.03
    diglyme 681.09
    acrylic acid 45.89
    isopropyl myristate 124.81
    n-butyric acid 231.64
    acetyl acetate 179.39
    di(2-ethylhexyl) phthalate 98.04
    ethyl propionate 307.78
    nitromethane 183.44
    1,2-diethoxyethane 508.71
    benzonitrile 161.07
    trioctyl phosphate 68.98
    1-bromopropane 416.35
    gamma-valerolactone 721.66
    n-decanol 54.66
    triethyl phosphate 161.96
    4-methyl-2-pentanol 91.15
    propionitrile 108.5
    vinylene carbonate 185.21
    1,1,2-trichlorotrifluoroethane 363.78
    DMS 174.42
    cumene 88.38
    2-octanol 67.11
    2-hexanone 365.48
    octyl acetate 144.93
    limonene 176.28
    1,2-dimethoxyethane 558.74
    ethyl orthosilicate 174.23
    tributyl phosphate 101.17
    diacetone alcohol 314.99
    N,N-dimethylaniline 181.33
    acrylonitrile 88.02
    aniline 130.01
    1,3-propanediol 55.76
    bromobenzene 263.21
    dibromomethane 575.41
    1,1,2,2-tetrachloroethane 905.81
    2-methyl-cyclohexyl acetate 305.17
    tetrabutyl urea 156.98
    diisobutyl methanol 96.55
    2-phenylethanol 127.02
    styrene 140.75
    dioctyl adipate 216.13
    dimethyl sulfate 124.12
    ethyl butyrate 347.29
    methyl lactate 70.27
    butyl lactate 187.91
    diethyl carbonate 177.9
    propanediol butyl ether 144.17
    triethyl orthoformate 272.19
    p-tert-butyltoluene 79.8
    methyl 4-tert-butylbenzoate 250.96
    morpholine 585.02
    tert-butylamine 142.37
    n-dodecanol 40.1
    dimethoxymethane 251.33
    ethylene carbonate 185.88
    cyrene 210.22
    2-ethoxyethyl acetate 371.44
    2-ethylhexyl acetate 297.49
    1,2,4-trichlorobenzene 293.78
    4-methylpyridine 353.96
    dibutyl ether 308.15
    2,6-dimethyl-4-heptanol 96.55
    DEF 414.0
    dimethyl isosorbide 500.18
    tetrachloroethylene 527.13
    eugenol 187.55
    triacetin 351.88
    span 80 211.75
    1,4-butanediol 24.26
    1,1-dichloroethane 498.27
    2-methyl-1-pentanol 155.14
    methyl formate 43.76
    2-methyl-1-butanol 151.14
    n-decane 24.09
    butyronitrile 169.54
    3,7-dimethyl-1-octanol 108.45
    1-chlorooctane 111.24
    1-chlorotetradecane 36.32
    n-nonane 23.99
    undecane 14.93
    tert-butylcyclohexane 52.97
    cyclooctane 47.57
    cyclopentanol 196.72
    tetrahydropyran 753.85
    tert-amyl methyl ether 331.85
    2,5,8-trioxanonane 433.01
    1-hexene 153.2
    2-isopropoxyethanol 198.23
    2,2,2-trifluoroethanol 25.82
    methyl butyrate 426.09

    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