2-Methylpropyl oct-7-enoate

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  • Identifiers

    CAS number
    106917-25-3

    Molecular formula
    C12H22O2

    SMILES
    CC(C)COC(=O)CCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.66%
    Fatty 60.27%
    Pineapple 58.01%
    Waxy 56.2%
    Winey 54.92%
    Sweet 52.57%
    Green 46.99%
    Oily 43.54%
    Pear 42.27%
    Cognac 37.59%

     

    Flavor
    Fruity 79.08%
    Green 53.39%
    Tropical 49.17%
    Waxy 41.18%
    Apple 39.79%
    Pineapple 38.13%
    Pear 37.26%
    Sweet 34.22%
    Floral 32.95%
    Oily 31.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.5 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 98.22 ˚C est.

  • Synonyms

    • 2-METHYLPROPYL OCT-7-ENOATE
    • 106917-25-3
    • isobutyl 7-octenoate
    • DTXSID10762647
    • VXCSHKJRSMDDCU-UHFFFAOYSA-N
    • 106917-25-3

  • Applications

    2-Methylpropyl oct-7-enoate (CAS 106917-25-3) is commonly used as a fragrance ingredient in perfumery and may function as a fixative or odor-modifier; in cosmetics and personal care it is used as a fragrance component or solvent; in polymers/plastics it may serve as a plasticizer or reactive monomer; in coatings and inks it can act as a specialty monomer or additive; in industrial manufacturing it serves as an intermediate in organic synthesis; it may also be evaluated for use in cleaning formulations as an odorant or solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1786.79
    methanol 1722.77
    isopropanol 1471.01
    water 0.16
    ethyl acetate 1373.95
    n-propanol 1260.31
    acetone 1629.31
    n-butanol 1319.03
    acetonitrile 906.26
    DMF 1225.14
    toluene 563.97
    isobutanol 1083.87
    1,4-dioxane 1404.9
    methyl acetate 961.46
    THF 2166.4
    2-butanone 1304.11
    n-pentanol 1117.66
    sec-butanol 1399.47
    n-hexane 386.58
    ethylene glycol 131.61
    NMP 888.82
    cyclohexane 377.16
    DMSO 1263.71
    n-butyl acetate 1619.42
    n-octanol 556.95
    chloroform 2442.68
    n-propyl acetate 962.64
    acetic acid 937.99
    dichloromethane 2101.58
    cyclohexanone 1774.29
    propylene glycol 325.2
    isopropyl acetate 968.5
    DMAc 1049.37
    2-ethoxyethanol 950.2
    isopentanol 1342.23
    n-heptane 169.8
    ethyl formate 695.17
    1,2-dichloroethane 1426.46
    n-hexanol 1394.25
    2-methoxyethanol 1178.2
    isobutyl acetate 673.38
    tetrachloromethane 356.91
    n-pentyl acetate 757.05
    transcutol 3076.21
    n-heptanol 508.2
    ethylbenzene 420.05
    MIBK 803.75
    2-propoxyethanol 1409.52
    tert-butanol 1675.72
    MTBE 1521.58
    2-butoxyethanol 744.26
    propionic acid 713.98
    o-xylene 404.21
    formic acid 186.99
    diethyl ether 1263.59
    m-xylene 453.85
    p-xylene 553.96
    chlorobenzene 807.01
    dimethyl carbonate 210.5
    n-octane 77.91
    formamide 227.08
    cyclopentanone 1404.85
    2-pentanone 1258.96
    anisole 679.62
    cyclopentyl methyl ether 1060.18
    gamma-butyrolactone 1237.65
    1-methoxy-2-propanol 1060.12
    pyridine 1166.22
    3-pentanone 702.06
    furfural 1111.72
    n-dodecane 57.87
    diethylene glycol 675.65
    diisopropyl ether 466.19
    tert-amyl alcohol 1536.2
    acetylacetone 1067.43
    n-hexadecane 66.16
    acetophenone 655.7
    methyl propionate 694.37
    isopentyl acetate 1411.17
    trichloroethylene 2422.2
    n-nonanol 461.57
    cyclohexanol 1112.99
    benzyl alcohol 571.85
    2-ethylhexanol 828.61
    isooctanol 448.01
    dipropyl ether 741.76
    1,2-dichlorobenzene 717.06
    ethyl lactate 348.8
    propylene carbonate 887.51
    n-methylformamide 527.6
    2-pentanol 1099.8
    n-pentane 227.41
    1-propoxy-2-propanol 1189.02
    1-methoxy-2-propyl acetate 952.45
    2-(2-methoxypropoxy) propanol 715.34
    mesitylene 307.2
    ε-caprolactone 1391.59
    p-cymene 302.79
    epichlorohydrin 1688.96
    1,1,1-trichloroethane 1419.6
    2-aminoethanol 404.1
    morpholine-4-carbaldehyde 971.68
    sulfolane 1244.53
    2,2,4-trimethylpentane 134.29
    2-methyltetrahydrofuran 1745.15
    n-hexyl acetate 1028.49
    isooctane 116.28
    2-(2-butoxyethoxy)ethanol 988.21
    sec-butyl acetate 730.73
    tert-butyl acetate 921.51
    decalin 195.76
    glycerin 318.83
    diglyme 1554.89
    acrylic acid 473.12
    isopropyl myristate 382.93
    n-butyric acid 1464.48
    acetyl acetate 695.55
    di(2-ethylhexyl) phthalate 325.78
    ethyl propionate 705.04
    nitromethane 1043.19
    1,2-diethoxyethane 1197.4
    benzonitrile 804.04
    trioctyl phosphate 244.9
    1-bromopropane 1164.92
    gamma-valerolactone 1522.03
    n-decanol 331.13
    triethyl phosphate 307.92
    4-methyl-2-pentanol 640.15
    propionitrile 835.32
    vinylene carbonate 719.3
    1,1,2-trichlorotrifluoroethane 982.49
    DMS 520.22
    cumene 313.06
    2-octanol 412.84
    2-hexanone 1104.46
    octyl acetate 468.59
    limonene 492.95
    1,2-dimethoxyethane 1591.91
    ethyl orthosilicate 323.6
    tributyl phosphate 333.57
    diacetone alcohol 888.33
    N,N-dimethylaniline 468.47
    acrylonitrile 808.16
    aniline 577.27
    1,3-propanediol 714.68
    bromobenzene 890.49
    dibromomethane 1594.03
    1,1,2,2-tetrachloroethane 2140.39
    2-methyl-cyclohexyl acetate 647.82
    tetrabutyl urea 392.11
    diisobutyl methanol 449.32
    2-phenylethanol 671.95
    styrene 512.8
    dioctyl adipate 516.6
    dimethyl sulfate 293.85
    ethyl butyrate 870.83
    methyl lactate 317.66
    butyl lactate 552.04
    diethyl carbonate 513.55
    propanediol butyl ether 739.5
    triethyl orthoformate 522.77
    p-tert-butyltoluene 291.46
    methyl 4-tert-butylbenzoate 549.76
    morpholine 1708.21
    tert-butylamine 1092.89
    n-dodecanol 247.68
    dimethoxymethane 760.23
    ethylene carbonate 656.07
    cyrene 492.22
    2-ethoxyethyl acetate 785.39
    2-ethylhexyl acetate 1028.66
    1,2,4-trichlorobenzene 786.6
    4-methylpyridine 1328.09
    dibutyl ether 773.97
    2,6-dimethyl-4-heptanol 449.32
    DEF 1027.03
    dimethyl isosorbide 942.08
    tetrachloroethylene 1268.89
    eugenol 550.12
    triacetin 716.13
    span 80 677.96
    1,4-butanediol 371.96
    1,1-dichloroethane 1689.62
    2-methyl-1-pentanol 1099.74
    methyl formate 373.86
    2-methyl-1-butanol 1121.29
    n-decane 104.59
    butyronitrile 1275.22
    3,7-dimethyl-1-octanol 626.9
    1-chlorooctane 401.6
    1-chlorotetradecane 158.79
    n-nonane 108.33
    undecane 74.15
    tert-butylcyclohexane 190.23
    cyclooctane 118.01
    cyclopentanol 924.75
    tetrahydropyran 1893.62
    tert-amyl methyl ether 1040.07
    2,5,8-trioxanonane 1016.48
    1-hexene 1075.89
    2-isopropoxyethanol 792.47
    2,2,2-trifluoroethanol 192.18
    methyl butyrate 1102.36

    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