1,5-Dimethyl-1-vinylhex-4-enyl pivalate

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  • Identifiers

    CAS number
    83846-55-3

    Molecular formula
    C15H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 70.46%
    Fruity 67.79%
    Citrus 66.44%
    Sweet 59.9%
    Herbal 59.08%
    Woody 58.26%
    Bergamot 57.93%
    Rose 48.03%
    Lavender 48.01%
    Fresh 47.35%

     

    Flavor
    Woody 62.51%
    Bergamot 61.6%
    Fruity 58.15%
    Green 56.75%
    Lavender 52.55%
    Sweet 52.32%
    Herbal 50.04%
    Citrus 49.89%
    Tropical 34.81%
    Rose 33.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.43 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 100.85 ˚C est.

  • Synonyms

    • 1,5-Dimethyl-1-vinylhex-4-enyl pivalate
    • 83846-55-3
    • EINECS 281-031-9
    • 3,7-dimethylocta-1,6-dien-3-yl 2,2-dimethylpropanoate
    • ZZYCDPNQWULUFL-UHFFFAOYSA-N
    • DTXSID701003933
    • NS00060695
    • 83846-55-3

  • Applications

    1,5-Dimethyl-1-vinylhex-4-enyl pivalate, CAS 83846-55-3, is primarily used as a specialty monomer and crosslinking agent in polymers, especially in UV-curable coatings, inks, and adhesives; it can function as a reactive diluent in UV-curable formulations; it serves as a precursor or functional modifier for functional polymers and resins; it may be employed in electronics encapsulation, protective coatings, and related resin systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 864.12
    methanol 599.82
    isopropanol 1129.5
    water 0.62
    ethyl acetate 1302.34
    n-propanol 914.35
    acetone 1104.59
    n-butanol 1090.08
    acetonitrile 646.99
    DMF 1442.79
    toluene 1571.14
    isobutanol 1074.3
    1,4-dioxane 1632.73
    methyl acetate 1134.52
    THF 2417.95
    2-butanone 1585.91
    n-pentanol 1152.17
    sec-butanol 1671.6
    n-hexane 945.11
    ethylene glycol 71.94
    NMP 1559.74
    cyclohexane 905.05
    DMSO 649.12
    n-butyl acetate 1851.22
    n-octanol 1255.05
    chloroform 4303.01
    n-propyl acetate 1190.89
    acetic acid 585.37
    dichloromethane 2681.04
    cyclohexanone 2301.71
    propylene glycol 270.38
    isopropyl acetate 1192.56
    DMAc 2081.92
    2-ethoxyethanol 893.83
    isopentanol 1301.96
    n-heptane 533.22
    ethyl formate 740.62
    1,2-dichloroethane 1533.22
    n-hexanol 1753.04
    2-methoxyethanol 908.67
    isobutyl acetate 1070.89
    tetrachloromethane 740.83
    n-pentyl acetate 1263.25
    transcutol 2173.59
    n-heptanol 1061.83
    ethylbenzene 1486.39
    MIBK 1140.75
    2-propoxyethanol 1451.04
    tert-butanol 1772.47
    MTBE 2541.04
    2-butoxyethanol 1064.23
    propionic acid 611.16
    o-xylene 1215.74
    formic acid 131.56
    diethyl ether 1280.3
    m-xylene 1274.44
    p-xylene 2146.32
    chlorobenzene 1336.58
    dimethyl carbonate 375.52
    n-octane 326.2
    formamide 193.86
    cyclopentanone 1797.8
    2-pentanone 1361.34
    anisole 1503.88
    cyclopentyl methyl ether 1637.27
    gamma-butyrolactone 1486.22
    1-methoxy-2-propanol 1036.83
    pyridine 1641.81
    3-pentanone 1077.83
    furfural 1313.32
    n-dodecane 222.95
    diethylene glycol 580.42
    diisopropyl ether 842.06
    tert-amyl alcohol 2441.56
    acetylacetone 1250.16
    n-hexadecane 249.52
    acetophenone 1378.3
    methyl propionate 913.57
    isopentyl acetate 1948.57
    trichloroethylene 3105.96
    n-nonanol 1093.85
    cyclohexanol 1494.01
    benzyl alcohol 1053.06
    2-ethylhexanol 1416.5
    isooctanol 982.08
    dipropyl ether 1119.92
    1,2-dichlorobenzene 1327.71
    ethyl lactate 560.18
    propylene carbonate 1221.06
    n-methylformamide 479.66
    2-pentanol 1261.56
    n-pentane 531.21
    1-propoxy-2-propanol 1406.93
    1-methoxy-2-propyl acetate 1285.52
    2-(2-methoxypropoxy) propanol 1069.21
    mesitylene 915.26
    ε-caprolactone 2118.15
    p-cymene 861.14
    epichlorohydrin 1924.19
    1,1,1-trichloroethane 2547.59
    2-aminoethanol 270.75
    morpholine-4-carbaldehyde 1659.23
    sulfolane 1386.91
    2,2,4-trimethylpentane 452.79
    2-methyltetrahydrofuran 2552.52
    n-hexyl acetate 1964.81
    isooctane 326.29
    2-(2-butoxyethoxy)ethanol 1207.71
    sec-butyl acetate 1181.29
    tert-butyl acetate 1458.3
    decalin 642.23
    glycerin 251.37
    diglyme 1848.94
    acrylic acid 410.04
    isopropyl myristate 855.9
    n-butyric acid 1163.13
    acetyl acetate 793.12
    di(2-ethylhexyl) phthalate 647.52
    ethyl propionate 1053.2
    nitromethane 873.27
    1,2-diethoxyethane 1389.06
    benzonitrile 1184.54
    trioctyl phosphate 531.55
    1-bromopropane 1681.53
    gamma-valerolactone 2060.72
    n-decanol 801.33
    triethyl phosphate 589.0
    4-methyl-2-pentanol 920.49
    propionitrile 867.54
    vinylene carbonate 1050.51
    1,1,2-trichlorotrifluoroethane 1138.22
    DMS 918.0
    cumene 1074.79
    2-octanol 1024.34
    2-hexanone 1423.07
    octyl acetate 1070.16
    limonene 1201.02
    1,2-dimethoxyethane 1787.86
    ethyl orthosilicate 648.42
    tributyl phosphate 624.7
    diacetone alcohol 1232.78
    N,N-dimethylaniline 1322.67
    acrylonitrile 734.06
    aniline 952.79
    1,3-propanediol 465.1
    bromobenzene 1601.57
    dibromomethane 2179.77
    1,1,2,2-tetrachloroethane 2959.27
    2-methyl-cyclohexyl acetate 1285.82
    tetrabutyl urea 761.47
    diisobutyl methanol 777.41
    2-phenylethanol 1197.19
    styrene 1415.61
    dioctyl adipate 993.63
    dimethyl sulfate 517.64
    ethyl butyrate 1263.66
    methyl lactate 417.65
    butyl lactate 916.97
    diethyl carbonate 828.87
    propanediol butyl ether 1061.89
    triethyl orthoformate 907.3
    p-tert-butyltoluene 843.05
    methyl 4-tert-butylbenzoate 1216.47
    morpholine 1908.38
    tert-butylamine 1487.32
    n-dodecanol 614.33
    dimethoxymethane 928.19
    ethylene carbonate 897.91
    cyrene 869.63
    2-ethoxyethyl acetate 1089.04
    2-ethylhexyl acetate 1688.25
    1,2,4-trichlorobenzene 1508.5
    4-methylpyridine 2386.44
    dibutyl ether 1362.05
    2,6-dimethyl-4-heptanol 777.41
    DEF 1514.04
    dimethyl isosorbide 1672.35
    tetrachloroethylene 1652.1
    eugenol 1018.24
    triacetin 1160.2
    span 80 1144.82
    1,4-butanediol 292.3
    1,1-dichloroethane 2234.54
    2-methyl-1-pentanol 1442.59
    methyl formate 401.1
    2-methyl-1-butanol 1366.24
    n-decane 384.83
    butyronitrile 1162.98
    3,7-dimethyl-1-octanol 1323.11
    1-chlorooctane 1009.71
    1-chlorotetradecane 432.13
    n-nonane 405.82
    undecane 274.97
    tert-butylcyclohexane 654.9
    cyclooctane 422.6
    cyclopentanol 1170.02
    tetrahydropyran 2291.22
    tert-amyl methyl ether 2102.14
    2,5,8-trioxanonane 1256.01
    1-hexene 1712.64
    2-isopropoxyethanol 918.27
    2,2,2-trifluoroethanol 197.78
    methyl butyrate 1438.61

    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