1-Hexylallyl formate

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  • Identifiers

    CAS number
    84681-89-0

    Molecular formula
    C10H18O2

    SMILES
    CCCCCCC(C=C)OC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 79.12%
    Fruity 53.18%
    Fatty 50.14%
    Mushroom 46.37%
    Waxy 44.23%
    Earthy 41.52%
    Metallic 40.79%
    Oily 39.48%
    Melon 39.1%
    Fresh 37.82%

     

    Flavor
    Green 75.72%
    Waxy 48.21%
    Fresh 44.67%
    Fruity 44.14%
    Oily 41.41%
    Fatty 39.79%
    Herbal 37.38%
    Mushroom 36.31%
    Melon 35.59%
    Floral 33.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.65 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 78.62 ˚C est.

  • Synonyms

    • 1-Hexylallyl formate
    • 84681-89-0
    • EINECS 283-550-6
    • non-1-en-3-yl formate
    • 1-Nonen-3-ol, 3-formate
    • Non-1-en-3-ylformate
    • 1-Nonen-3-ol, formate
    • EY3B99Q8BH
    • SCHEMBL3029584
    • SCHEMBL3029587
    • BNHJRSKWTCEYEL-UHFFFAOYSA-N
    • DTXSID401004970
    • NS00060029
    • 84681-89-0

  • Applications

    1-Hexylallyl formate (CAS 84681-89-0) may serve as a reactive intermediate and solvent in organic synthesis; practical applications include acting as a fragrance ingredient or solvent in perfumery and cosmetics, a solvent or processing aid in coatings and inks, a building block or additive in polymer and plastics manufacturing, a solvent or processing aid in adhesives formulations, and a cleaning solvent in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2114.71
    methanol 2192.51
    isopropanol 1563.36
    water 0.04
    ethyl acetate 2550.38
    n-propanol 1612.06
    acetone 3612.78
    n-butanol 1479.18
    acetonitrile 1422.83
    DMF 2743.01
    toluene 817.7
    isobutanol 1196.07
    1,4-dioxane 1904.55
    methyl acetate 1584.97
    THF 3701.96
    2-butanone 2766.28
    n-pentanol 1079.46
    sec-butanol 1379.81
    n-hexane 374.69
    ethylene glycol 151.48
    NMP 2037.74
    cyclohexane 433.93
    DMSO 3893.89
    n-butyl acetate 1998.36
    n-octanol 322.94
    chloroform 2625.42
    n-propyl acetate 1541.33
    acetic acid 1023.21
    dichloromethane 3039.81
    cyclohexanone 3256.25
    propylene glycol 307.64
    isopropyl acetate 1403.76
    DMAc 1407.58
    2-ethoxyethanol 1024.89
    isopentanol 1341.49
    n-heptane 116.27
    ethyl formate 886.44
    1,2-dichloroethane 2883.12
    n-hexanol 1238.87
    2-methoxyethanol 1806.57
    isobutyl acetate 803.49
    tetrachloromethane 394.36
    n-pentyl acetate 775.92
    transcutol 3969.59
    n-heptanol 324.98
    ethylbenzene 419.3
    MIBK 1150.85
    2-propoxyethanol 1538.84
    tert-butanol 1878.42
    MTBE 2129.21
    2-butoxyethanol 610.88
    propionic acid 968.93
    o-xylene 441.93
    formic acid 201.67
    diethyl ether 2503.43
    m-xylene 574.11
    p-xylene 473.25
    chlorobenzene 1108.85
    dimethyl carbonate 361.09
    n-octane 41.44
    formamide 363.03
    cyclopentanone 3226.53
    2-pentanone 2510.07
    anisole 753.61
    cyclopentyl methyl ether 2221.47
    gamma-butyrolactone 2834.62
    1-methoxy-2-propanol 1483.33
    pyridine 2007.81
    3-pentanone 1508.95
    furfural 1651.08
    n-dodecane 26.33
    diethylene glycol 767.11
    diisopropyl ether 609.32
    tert-amyl alcohol 1517.89
    acetylacetone 1687.02
    n-hexadecane 32.31
    acetophenone 706.0
    methyl propionate 1538.06
    isopentyl acetate 1539.52
    trichloroethylene 4095.55
    n-nonanol 275.22
    cyclohexanol 1372.64
    benzyl alcohol 603.02
    2-ethylhexanol 697.93
    isooctanol 279.65
    dipropyl ether 923.87
    1,2-dichlorobenzene 906.15
    ethyl lactate 357.51
    propylene carbonate 1249.55
    n-methylformamide 1076.78
    2-pentanol 1140.54
    n-pentane 235.02
    1-propoxy-2-propanol 1255.93
    1-methoxy-2-propyl acetate 1316.49
    2-(2-methoxypropoxy) propanol 611.7
    mesitylene 361.0
    ε-caprolactone 2083.95
    p-cymene 245.43
    epichlorohydrin 3149.82
    1,1,1-trichloroethane 2118.11
    2-aminoethanol 461.21
    morpholine-4-carbaldehyde 1483.01
    sulfolane 3098.78
    2,2,4-trimethylpentane 96.65
    2-methyltetrahydrofuran 3210.86
    n-hexyl acetate 951.08
    isooctane 88.2
    2-(2-butoxyethoxy)ethanol 876.95
    sec-butyl acetate 976.97
    tert-butyl acetate 1356.39
    decalin 163.2
    glycerin 327.27
    diglyme 1595.46
    acrylic acid 624.81
    isopropyl myristate 301.22
    n-butyric acid 1758.33
    acetyl acetate 859.48
    di(2-ethylhexyl) phthalate 250.76
    ethyl propionate 1133.33
    nitromethane 1982.39
    1,2-diethoxyethane 1630.55
    benzonitrile 861.97
    trioctyl phosphate 188.31
    1-bromopropane 1947.86
    gamma-valerolactone 2636.43
    n-decanol 192.1
    triethyl phosphate 304.98
    4-methyl-2-pentanol 559.03
    propionitrile 1363.63
    vinylene carbonate 968.85
    1,1,2-trichlorotrifluoroethane 1494.48
    DMS 650.79
    cumene 251.52
    2-octanol 256.06
    2-hexanone 1636.96
    octyl acetate 361.21
    limonene 438.98
    1,2-dimethoxyethane 1837.48
    ethyl orthosilicate 308.51
    tributyl phosphate 277.83
    diacetone alcohol 1204.16
    N,N-dimethylaniline 435.92
    acrylonitrile 1407.88
    aniline 863.48
    1,3-propanediol 741.26
    bromobenzene 1276.34
    dibromomethane 2329.22
    1,1,2,2-tetrachloroethane 3078.85
    2-methyl-cyclohexyl acetate 639.49
    tetrabutyl urea 343.66
    diisobutyl methanol 372.3
    2-phenylethanol 640.58
    styrene 584.59
    dioctyl adipate 428.01
    dimethyl sulfate 583.74
    ethyl butyrate 1010.2
    methyl lactate 442.29
    butyl lactate 517.74
    diethyl carbonate 528.68
    propanediol butyl ether 577.03
    triethyl orthoformate 541.01
    p-tert-butyltoluene 247.14
    methyl 4-tert-butylbenzoate 457.42
    morpholine 2929.27
    tert-butylamine 1170.31
    n-dodecanol 141.67
    dimethoxymethane 1554.85
    ethylene carbonate 833.06
    cyrene 491.85
    2-ethoxyethyl acetate 994.22
    2-ethylhexyl acetate 1127.09
    1,2,4-trichlorobenzene 1011.2
    4-methylpyridine 2066.61
    dibutyl ether 747.13
    2,6-dimethyl-4-heptanol 372.3
    DEF 2113.78
    dimethyl isosorbide 1070.03
    tetrachloroethylene 1805.19
    eugenol 458.94
    triacetin 643.47
    span 80 550.21
    1,4-butanediol 298.37
    1,1-dichloroethane 2712.92
    2-methyl-1-pentanol 938.05
    methyl formate 686.72
    2-methyl-1-butanol 1187.61
    n-decane 50.4
    butyronitrile 1617.72
    3,7-dimethyl-1-octanol 430.57
    1-chlorooctane 290.18
    1-chlorotetradecane 95.93
    n-nonane 53.62
    undecane 35.15
    tert-butylcyclohexane 150.48
    cyclooctane 113.14
    cyclopentanol 1365.17
    tetrahydropyran 3440.79
    tert-amyl methyl ether 1350.7
    2,5,8-trioxanonane 957.56
    1-hexene 1294.76
    2-isopropoxyethanol 831.08
    2,2,2-trifluoroethanol 212.99
    methyl butyrate 1598.52

    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