1,5,9-Trimethyl-1-vinyldeca-4,8-dienyl phenylacetate

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  • Identifiers

    CAS number
    85030-16-6

    Molecular formula
    C23H32O2

    SMILES
    CC(=CCC/C(=C/CCC(C)(C=C)OC(=O)CC1=CC=CC=C1)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 87.26%
    Sweet 73.39%
    Rose 65.47%
    Balsamic 56.99%
    Honey 47.6%
    Waxy 47.36%
    Green 46.83%
    Lily 43.41%
    Woody 43.14%
    Powdery 41.9%

     

    Flavor
    Floral 54.55%
    Green 52.24%
    Rose 43.07%
    Sweet 41.79%
    Woody 39.6%
    Bergamot 38.62%
    Waxy 38.19%
    Fruity 37.06%
    Tropical 28.51%
    Bitter 28.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    7.37 (neutral)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Flash point

    • 176.8 ˚C est.

  • Synonyms

    • 1,5,9-Trimethyl-1-vinyldeca-4,8-dienyl phenylacetate
    • 85030-16-6
    • EINECS 285-141-8
    • RefChem:221145
    • 285-141-8
    • FHYSZDJZDKDKIJ-XSFVSMFZSA-N
    • 85030-16-6

  • Applications

    Chemical name: 1,5,9-Trimethyl-1-vinyldeca-4,8-dienyl phenylacetate; CAS number: 85030-16-6 is a compound used primarily as a fragrance ingredient and fixative in perfumery, contributing a longer-lasting and more stable aroma. It is also employed in cosmetics and personal care formulations as a fragrance component; in household products such as cleaners and air fresheners to impart fragrance; as an aroma additive for coatings and inks, integrated into polymer and coating matrices; and as an industrial intermediate in fragrance synthesis and related chemical production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 487.17
    methanol 372.3
    isopropanol 270.14
    water 0.04
    ethyl acetate 657.75
    n-propanol 418.37
    acetone 278.31
    n-butanol 421.4
    acetonitrile 116.8
    DMF 301.57
    toluene 345.46
    isobutanol 257.32
    1,4-dioxane 797.23
    methyl acetate 318.61
    THF 1230.48
    2-butanone 486.51
    n-pentanol 369.07
    sec-butanol 385.98
    n-hexane 58.31
    ethylene glycol 7.41
    NMP 369.1
    cyclohexane 94.36
    DMSO 258.48
    n-butyl acetate 427.86
    n-octanol 122.08
    chloroform 1458.0
    n-propyl acetate 342.58
    acetic acid 171.96
    dichloromethane 1285.45
    cyclohexanone 638.19
    propylene glycol 36.82
    isopropyl acetate 422.27
    DMAc 733.65
    2-ethoxyethanol 382.66
    isopentanol 368.74
    n-heptane 31.83
    ethyl formate 186.08
    1,2-dichloroethane 751.12
    n-hexanol 328.36
    2-methoxyethanol 407.71
    isobutyl acetate 268.3
    tetrachloromethane 104.15
    n-pentyl acetate 265.17
    transcutol 1708.15
    n-heptanol 138.09
    ethylbenzene 202.11
    MIBK 318.68
    2-propoxyethanol 533.04
    tert-butanol 292.72
    MTBE 585.31
    2-butoxyethanol 281.75
    propionic acid 139.88
    o-xylene 172.97
    formic acid 36.22
    diethyl ether 827.13
    m-xylene 197.42
    p-xylene 217.19
    chlorobenzene 368.1
    dimethyl carbonate 100.68
    n-octane 11.59
    formamide 61.3
    cyclopentanone 459.67
    2-pentanone 444.82
    anisole 395.77
    cyclopentyl methyl ether 542.74
    gamma-butyrolactone 414.53
    1-methoxy-2-propanol 383.24
    pyridine 521.43
    3-pentanone 369.24
    furfural 318.27
    n-dodecane 10.2
    diethylene glycol 166.32
    diisopropyl ether 189.16
    tert-amyl alcohol 361.02
    acetylacetone 389.51
    n-hexadecane 12.08
    acetophenone 300.82
    methyl propionate 356.36
    isopentyl acetate 431.51
    trichloroethylene 1092.42
    n-nonanol 127.39
    cyclohexanol 288.24
    benzyl alcohol 228.16
    2-ethylhexanol 209.62
    isooctanol 124.69
    dipropyl ether 336.27
    1,2-dichlorobenzene 345.2
    ethyl lactate 119.86
    propylene carbonate 287.69
    n-methylformamide 116.12
    2-pentanol 296.94
    n-pentane 41.79
    1-propoxy-2-propanol 391.04
    1-methoxy-2-propyl acetate 506.35
    2-(2-methoxypropoxy) propanol 370.43
    mesitylene 111.58
    ε-caprolactone 582.77
    p-cymene 99.33
    epichlorohydrin 862.37
    1,1,1-trichloroethane 513.48
    2-aminoethanol 62.16
    morpholine-4-carbaldehyde 483.11
    sulfolane 393.01
    2,2,4-trimethylpentane 33.2
    2-methyltetrahydrofuran 928.3
    n-hexyl acetate 365.21
    isooctane 20.7
    2-(2-butoxyethoxy)ethanol 485.0
    sec-butyl acetate 333.08
    tert-butyl acetate 426.71
    decalin 56.82
    glycerin 47.82
    diglyme 843.44
    acrylic acid 74.68
    isopropyl myristate 148.96
    n-butyric acid 380.08
    acetyl acetate 282.89
    di(2-ethylhexyl) phthalate 147.54
    ethyl propionate 347.36
    nitromethane 246.96
    1,2-diethoxyethane 706.39
    benzonitrile 194.17
    trioctyl phosphate 86.24
    1-bromopropane 611.27
    gamma-valerolactone 717.99
    n-decanol 89.21
    triethyl phosphate 157.75
    4-methyl-2-pentanol 177.47
    propionitrile 183.72
    vinylene carbonate 231.42
    1,1,2-trichlorotrifluoroethane 333.94
    DMS 225.54
    cumene 131.27
    2-octanol 92.22
    2-hexanone 350.48
    octyl acetate 185.87
    limonene 166.74
    1,2-dimethoxyethane 708.02
    ethyl orthosilicate 184.01
    tributyl phosphate 119.63
    diacetone alcohol 316.03
    N,N-dimethylaniline 272.82
    acrylonitrile 135.85
    aniline 257.85
    1,3-propanediol 154.63
    bromobenzene 408.73
    dibromomethane 847.85
    1,1,2,2-tetrachloroethane 1025.53
    2-methyl-cyclohexyl acetate 318.7
    tetrabutyl urea 161.88
    diisobutyl methanol 110.35
    2-phenylethanol 272.84
    styrene 234.54
    dioctyl adipate 238.32
    dimethyl sulfate 119.92
    ethyl butyrate 354.8
    methyl lactate 101.8
    butyl lactate 182.8
    diethyl carbonate 217.86
    propanediol butyl ether 173.37
    triethyl orthoformate 291.76
    p-tert-butyltoluene 92.46
    methyl 4-tert-butylbenzoate 286.02
    morpholine 1050.08
    tert-butylamine 187.8
    n-dodecanol 62.92
    dimethoxymethane 435.76
    ethylene carbonate 230.64
    cyrene 236.97
    2-ethoxyethyl acetate 395.02
    2-ethylhexyl acetate 366.22
    1,2,4-trichlorobenzene 372.04
    4-methylpyridine 570.28
    dibutyl ether 271.95
    2,6-dimethyl-4-heptanol 110.35
    DEF 492.3
    dimethyl isosorbide 620.26
    tetrachloroethylene 514.74
    eugenol 241.12
    triacetin 329.44
    span 80 289.16
    1,4-butanediol 54.84
    1,1-dichloroethane 623.68
    2-methyl-1-pentanol 378.68
    methyl formate 72.71
    2-methyl-1-butanol 364.28
    n-decane 19.91
    butyronitrile 272.48
    3,7-dimethyl-1-octanol 162.12
    1-chlorooctane 112.84
    1-chlorotetradecane 41.05
    n-nonane 17.15
    undecane 13.65
    tert-butylcyclohexane 49.92
    cyclooctane 24.92
    cyclopentanol 195.24
    tetrahydropyran 1157.35
    tert-amyl methyl ether 472.91
    2,5,8-trioxanonane 591.25
    1-hexene 256.35
    2-isopropoxyethanol 302.1
    2,2,2-trifluoroethanol 33.28
    methyl butyrate 426.16

    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