Allyl (2-methylbutoxy)acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67634-01-9

    Molecular formula
    C10H18O3

    SMILES
    CCC(C)COCC(=O)OCC=C

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 92.79%
    Green 72.12%
    Herbal 55.49%
    Apple 47.26%
    Pineapple 41.38%
    Tropical 39.35%
    Ethereal 38.13%
    Sweet 36.84%
    Fresh 33.39%
    Winey 32.31%

     

    Flavor
    Fruity 70.32%
    Sweet 42.67%
    Tropical 37.28%
    Green 35.7%
    Berry 31.76%
    Cheese 29.47%
    Pineapple 29.05%
    Fatty 28.9%
    Oily 25.96%
    Butter 24.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.94 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 84.96 ˚C est.

  • Synonyms

    • Allyl (2-methylbutoxy)acetate
    • 67634-01-9
    • prop-2-enyl 2-(2-methylbutoxy)acetate
    • Acetic acid, 2-(2-methylbutoxy)-, 2-propen-1-yl ester
    • EINECS 266-804-0
    • U7648V40M4
    • Acetic acid, 2-(2-methylbutoxy)-, 2-propenyl ester
    • DTXSID00867291
    • Acetic acid, (2-methylbutoxy)-, 2-propenyl ester
    • allyl(2-methylbutoxy)acetate
    • UNII-U7648V40M4
    • allyl 2-(2-methylbutoxy)acetate
    • SCHEMBL2985485
    • DTXCID50815484
    • GWFJURKHPPFFMD-UHFFFAOYSA-N
    • AKOS015916688
    • NS00011945
    • Q27290782
    • 266-804-0

  • Applications

    Allyl (2-methylbutoxy)acetate may be used as a fragrance ingredient in perfumery and consumer products; it can function as a solvent or processing intermediate for polymer and resin formulations; it may serve as a reactive diluent or plasticizer in coatings, inks, and adhesives; and it is commonly evaluated for use as an additive to modify processing characteristics and flexibility in polymer/plastic systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1651.9
    methanol 2117.37
    isopropanol 879.45
    water 0.91
    ethyl acetate 1836.03
    n-propanol 1028.17
    acetone 2220.19
    n-butanol 937.8
    acetonitrile 1079.71
    DMF 1707.14
    toluene 304.7
    isobutanol 748.43
    1,4-dioxane 1061.65
    methyl acetate 1423.69
    THF 1830.17
    2-butanone 1550.72
    n-pentanol 564.49
    sec-butanol 908.93
    n-hexane 53.09
    ethylene glycol 262.42
    NMP 1659.43
    cyclohexane 114.16
    DMSO 2789.68
    n-butyl acetate 1114.44
    n-octanol 203.43
    chloroform 2318.59
    n-propyl acetate 828.08
    acetic acid 2220.63
    dichloromethane 2407.71
    cyclohexanone 1946.69
    propylene glycol 386.13
    isopropyl acetate 919.86
    DMAc 1387.32
    2-ethoxyethanol 941.42
    isopentanol 818.91
    n-heptane 28.26
    ethyl formate 865.14
    1,2-dichloroethane 1951.56
    n-hexanol 597.17
    2-methoxyethanol 1859.33
    isobutyl acetate 441.92
    tetrachloromethane 282.18
    n-pentyl acetate 443.28
    transcutol 3745.8
    n-heptanol 190.76
    ethylbenzene 198.64
    MIBK 685.75
    2-propoxyethanol 1019.93
    tert-butanol 1185.3
    MTBE 930.12
    2-butoxyethanol 441.23
    propionic acid 1194.4
    o-xylene 262.39
    formic acid 681.5
    diethyl ether 880.78
    m-xylene 265.59
    p-xylene 263.89
    chlorobenzene 698.73
    dimethyl carbonate 348.08
    n-octane 12.66
    formamide 989.47
    cyclopentanone 2019.76
    2-pentanone 1332.55
    anisole 470.73
    cyclopentyl methyl ether 942.84
    gamma-butyrolactone 2294.28
    1-methoxy-2-propanol 1225.24
    pyridine 1191.58
    3-pentanone 883.88
    furfural 1729.62
    n-dodecane 11.3
    diethylene glycol 769.18
    diisopropyl ether 243.0
    tert-amyl alcohol 1130.02
    acetylacetone 1478.15
    n-hexadecane 13.52
    acetophenone 587.64
    methyl propionate 1112.37
    isopentyl acetate 941.6
    trichloroethylene 3901.84
    n-nonanol 169.94
    cyclohexanol 856.54
    benzyl alcohol 466.79
    2-ethylhexanol 360.98
    isooctanol 172.69
    dipropyl ether 301.54
    1,2-dichlorobenzene 723.84
    ethyl lactate 336.4
    propylene carbonate 1169.21
    n-methylformamide 1080.07
    2-pentanol 688.95
    n-pentane 50.77
    1-propoxy-2-propanol 754.94
    1-methoxy-2-propyl acetate 983.07
    2-(2-methoxypropoxy) propanol 557.2
    mesitylene 179.58
    ε-caprolactone 1608.97
    p-cymene 162.64
    epichlorohydrin 2486.68
    1,1,1-trichloroethane 1635.05
    2-aminoethanol 584.92
    morpholine-4-carbaldehyde 1362.5
    sulfolane 2365.98
    2,2,4-trimethylpentane 48.23
    2-methyltetrahydrofuran 1595.23
    n-hexyl acetate 645.72
    isooctane 34.54
    2-(2-butoxyethoxy)ethanol 768.68
    sec-butyl acetate 572.61
    tert-butyl acetate 947.95
    decalin 65.66
    glycerin 490.35
    diglyme 1371.79
    acrylic acid 986.34
    isopropyl myristate 196.44
    n-butyric acid 1772.32
    acetyl acetate 1112.05
    di(2-ethylhexyl) phthalate 212.45
    ethyl propionate 716.02
    nitromethane 3401.86
    1,2-diethoxyethane 846.04
    benzonitrile 626.87
    trioctyl phosphate 142.22
    1-bromopropane 840.97
    gamma-valerolactone 2081.58
    n-decanol 118.96
    triethyl phosphate 245.73
    4-methyl-2-pentanol 324.09
    propionitrile 761.75
    vinylene carbonate 991.09
    1,1,2-trichlorotrifluoroethane 1773.58
    DMS 604.93
    cumene 155.32
    2-octanol 145.1
    2-hexanone 729.97
    octyl acetate 253.36
    limonene 282.93
    1,2-dimethoxyethane 1165.53
    ethyl orthosilicate 231.97
    tributyl phosphate 230.9
    diacetone alcohol 1050.47
    N,N-dimethylaniline 312.09
    acrylonitrile 1039.64
    aniline 512.7
    1,3-propanediol 869.94
    bromobenzene 706.09
    dibromomethane 1608.66
    1,1,2,2-tetrachloroethane 2994.52
    2-methyl-cyclohexyl acetate 460.68
    tetrabutyl urea 261.22
    diisobutyl methanol 213.41
    2-phenylethanol 476.97
    styrene 251.18
    dioctyl adipate 341.0
    dimethyl sulfate 594.58
    ethyl butyrate 627.93
    methyl lactate 494.41
    butyl lactate 406.89
    diethyl carbonate 388.88
    propanediol butyl ether 531.4
    triethyl orthoformate 357.4
    p-tert-butyltoluene 152.32
    methyl 4-tert-butylbenzoate 413.92
    morpholine 1602.53
    tert-butylamine 623.76
    n-dodecanol 88.2
    dimethoxymethane 878.51
    ethylene carbonate 816.35
    cyrene 485.02
    2-ethoxyethyl acetate 694.29
    2-ethylhexyl acetate 661.64
    1,2,4-trichlorobenzene 862.74
    4-methylpyridine 1093.79
    dibutyl ether 279.82
    2,6-dimethyl-4-heptanol 213.41
    DEF 1287.28
    dimethyl isosorbide 884.67
    tetrachloroethylene 1753.68
    eugenol 419.84
    triacetin 624.32
    span 80 471.71
    1,4-butanediol 314.2
    1,1-dichloroethane 1677.86
    2-methyl-1-pentanol 590.08
    methyl formate 847.19
    2-methyl-1-butanol 811.97
    n-decane 19.81
    butyronitrile 815.43
    3,7-dimethyl-1-octanol 284.01
    1-chlorooctane 136.76
    1-chlorotetradecane 49.23
    n-nonane 19.03
    undecane 14.42
    tert-butylcyclohexane 55.58
    cyclooctane 32.45
    cyclopentanol 791.74
    tetrahydropyran 1289.47
    tert-amyl methyl ether 700.82
    2,5,8-trioxanonane 880.86
    1-hexene 246.49
    2-isopropoxyethanol 618.26
    2,2,2-trifluoroethanol 589.0
    methyl butyrate 1031.86

    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