1,5-Dimethyl-1-vinylhex-4-enyl 3-phenylpropionate

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  • Identifiers

    CAS number
    71617-12-4

    Molecular formula
    C19H26O2

    SMILES
    CC(=CCCC(C)(C=C)OC(=O)CCC1=CC=CC=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 83.55%
    Sweet 80.11%
    Rose 65.98%
    Fruity 59.2%
    Balsamic 59.05%
    Honey 51.6%
    Powdery 39.02%
    Woody 38.99%
    Green 38.12%
    Tropical 37.02%

     

    Flavor
    Fruity 49.66%
    Rose 47.0%
    Bergamot 43.98%
    Green 43.84%
    Floral 43.22%
    Sweet 43.05%
    Woody 35.31%
    Bitter 33.1%
    Tropical 30.15%
    Herbal 29.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.63 (neutral)

    Molecular weight
    286.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 157.33 ˚C est.

  • Synonyms

    • 71617-12-4
    • EINECS 275-704-6
    • 1,5-Dimethyl-1-vinylhex-4-enyl 3-phenylpropionate
    • 3,7-DIMETHYLOCTA-1,6-DIEN-3-YL 3-PHENYLPROPANOATE
    • SCHEMBL28158134
    • DTXSID30992181
    • RBQBQDDJTGLLOK-UHFFFAOYSA-N
    • NS00061643
    • 71617-12-4

  • Applications

    Chemical name: 1,5-Dimethyl-1-vinylhex-4-enyl 3-phenylpropionate; CAS number: 71617-12-4. This compound is used in perfumery and fragrance chemistry as a fragrance ingredient and intermediate, where it may contribute as a scent component and, in some formulations, as a fixative. It is also employed in cosmetics/personal care formulations as a fragrance ingredient. In household products, it can function as a scent additive. In coatings and inks, it may serve as a fragrance-bearing additive or a reactive monomer/co-monomer to enable fragrance incorporation into polymeric matrices. In polymers/plastics, it may be explored as a functional monomer for specialty polymers to achieve fragrance release or scent integration.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 678.72
    methanol 619.09
    isopropanol 416.25
    water 0.1
    ethyl acetate 922.84
    n-propanol 502.26
    acetone 535.32
    n-butanol 475.71
    acetonitrile 291.66
    DMF 648.27
    toluene 419.92
    isobutanol 331.56
    1,4-dioxane 1079.27
    methyl acetate 535.68
    THF 1326.62
    2-butanone 588.64
    n-pentanol 411.11
    sec-butanol 453.5
    n-hexane 65.52
    ethylene glycol 23.11
    NMP 545.7
    cyclohexane 98.28
    DMSO 504.83
    n-butyl acetate 561.8
    n-octanol 149.17
    chloroform 2119.58
    n-propyl acetate 436.95
    acetic acid 292.29
    dichloromethane 1944.77
    cyclohexanone 790.55
    propylene glycol 78.49
    isopropyl acetate 582.12
    DMAc 1108.99
    2-ethoxyethanol 461.19
    isopentanol 440.31
    n-heptane 31.34
    ethyl formate 283.0
    1,2-dichloroethane 1145.73
    n-hexanol 403.44
    2-methoxyethanol 548.98
    isobutyl acetate 350.59
    tetrachloromethane 149.59
    n-pentyl acetate 288.08
    transcutol 2052.48
    n-heptanol 149.19
    ethylbenzene 254.62
    MIBK 406.48
    2-propoxyethanol 641.34
    tert-butanol 474.78
    MTBE 767.72
    2-butoxyethanol 307.14
    propionic acid 238.51
    o-xylene 231.86
    formic acid 70.31
    diethyl ether 949.84
    m-xylene 265.67
    p-xylene 288.68
    chlorobenzene 508.31
    dimethyl carbonate 201.69
    n-octane 15.04
    formamide 125.53
    cyclopentanone 662.2
    2-pentanone 579.3
    anisole 519.08
    cyclopentyl methyl ether 619.36
    gamma-butyrolactone 656.62
    1-methoxy-2-propanol 501.35
    pyridine 633.81
    3-pentanone 466.67
    furfural 522.16
    n-dodecane 14.87
    diethylene glycol 286.66
    diisopropyl ether 236.93
    tert-amyl alcohol 466.57
    acetylacetone 578.74
    n-hexadecane 17.64
    acetophenone 405.67
    methyl propionate 523.21
    isopentyl acetate 540.93
    trichloroethylene 1668.95
    n-nonanol 146.93
    cyclohexanol 358.45
    benzyl alcohol 299.13
    2-ethylhexanol 247.78
    isooctanol 134.41
    dipropyl ether 339.23
    1,2-dichlorobenzene 490.87
    ethyl lactate 162.67
    propylene carbonate 447.72
    n-methylformamide 219.65
    2-pentanol 355.08
    n-pentane 42.57
    1-propoxy-2-propanol 432.35
    1-methoxy-2-propyl acetate 575.93
    2-(2-methoxypropoxy) propanol 410.24
    mesitylene 153.2
    ε-caprolactone 700.1
    p-cymene 122.41
    epichlorohydrin 1144.2
    1,1,1-trichloroethane 797.09
    2-aminoethanol 116.22
    morpholine-4-carbaldehyde 714.21
    sulfolane 621.78
    2,2,4-trimethylpentane 38.46
    2-methyltetrahydrofuran 975.86
    n-hexyl acetate 428.61
    isooctane 27.36
    2-(2-butoxyethoxy)ethanol 533.71
    sec-butyl acetate 391.94
    tert-butyl acetate 549.9
    decalin 67.46
    glycerin 95.75
    diglyme 955.29
    acrylic acid 143.88
    isopropyl myristate 178.09
    n-butyric acid 482.67
    acetyl acetate 468.7
    di(2-ethylhexyl) phthalate 172.5
    ethyl propionate 411.3
    nitromethane 469.37
    1,2-diethoxyethane 802.92
    benzonitrile 325.4
    trioctyl phosphate 108.0
    1-bromopropane 740.77
    gamma-valerolactone 876.95
    n-decanol 108.69
    triethyl phosphate 178.54
    4-methyl-2-pentanol 210.97
    propionitrile 317.37
    vinylene carbonate 378.12
    1,1,2-trichlorotrifluoroethane 487.28
    DMS 356.19
    cumene 164.1
    2-octanol 104.04
    2-hexanone 417.19
    octyl acetate 219.35
    limonene 197.89
    1,2-dimethoxyethane 818.37
    ethyl orthosilicate 191.62
    tributyl phosphate 156.32
    diacetone alcohol 418.41
    N,N-dimethylaniline 334.6
    acrylonitrile 282.8
    aniline 334.44
    1,3-propanediol 221.12
    bromobenzene 573.69
    dibromomethane 1238.41
    1,1,2,2-tetrachloroethane 1479.51
    2-methyl-cyclohexyl acetate 338.66
    tetrabutyl urea 197.46
    diisobutyl methanol 132.01
    2-phenylethanol 333.42
    styrene 313.83
    dioctyl adipate 264.94
    dimethyl sulfate 257.0
    ethyl butyrate 398.15
    methyl lactate 166.16
    butyl lactate 212.84
    diethyl carbonate 264.05
    propanediol butyl ether 245.39
    triethyl orthoformate 283.63
    p-tert-butyltoluene 118.1
    methyl 4-tert-butylbenzoate 334.28
    morpholine 1217.1
    tert-butylamine 295.67
    n-dodecanol 81.78
    dimethoxymethane 651.35
    ethylene carbonate 365.8
    cyrene 289.31
    2-ethoxyethyl acetate 441.62
    2-ethylhexyl acetate 434.56
    1,2,4-trichlorobenzene 518.07
    4-methylpyridine 742.11
    dibutyl ether 310.03
    2,6-dimethyl-4-heptanol 132.01
    DEF 639.66
    dimethyl isosorbide 655.82
    tetrachloroethylene 770.99
    eugenol 292.64
    triacetin 420.55
    span 80 313.59
    1,4-butanediol 98.51
    1,1-dichloroethane 992.99
    2-methyl-1-pentanol 410.57
    methyl formate 152.76
    2-methyl-1-butanol 404.36
    n-decane 26.42
    butyronitrile 382.32
    3,7-dimethyl-1-octanol 194.95
    1-chlorooctane 143.43
    1-chlorotetradecane 56.54
    n-nonane 23.82
    undecane 19.26
    tert-butylcyclohexane 63.13
    cyclooctane 27.33
    cyclopentanol 261.77
    tetrahydropyran 1151.22
    tert-amyl methyl ether 546.47
    2,5,8-trioxanonane 658.22
    1-hexene 293.19
    2-isopropoxyethanol 368.15
    2,2,2-trifluoroethanol 75.31
    methyl butyrate 516.44

    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