1-Methylpentyl acetate

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  • Identifiers

    CAS number
    5953-49-1

    Molecular formula
    C8H16O2

    SMILES
    CCCCC(C)OC(=O)C

  • Odor profile

    Fruity 97.02%
    Banana 66.97%
    Sweet 65.91%
    Green 57.76%
    Apple 55.59%
    Pear 52.12%
    Ethereal 45.41%
    Pineapple 41.38%
    Herbal 40.66%
    Fresh 40.08%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.74 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point est.
    47.54 ˚C

  • Synonyms

    • 1-Methylpentyl acetate
    • hexan-2-yl acetate
    • 2-Hexanol, acetate
    • 2-Hexyl acetate
    • 5953-49-1
    • EINECS 227-716-8
    • DTXSID10863663
    • SCHEMBL181003
    • DTXCID90812250
    • NS00048101
    • 227-716-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3982.36
    methanol 5351.68
    isopropanol 3186.74
    water 7.95
    ethyl acetate 1466.17
    n-propanol 3043.51
    acetone 3216.91
    n-butanol 2616.82
    acetonitrile 2073.29
    DMF 2994.09
    toluene 879.75
    isobutanol 2213.19
    1,4-dioxane 2769.37
    methyl acetate 1456.23
    THF 3729.17
    2-butanone 2116.63
    n-pentanol 1652.02
    sec-butanol 2713.83
    n-hexane 793.2
    ethylene glycol 839.84
    NMP 2729.78
    cyclohexane 683.62
    DMSO 2933.46
    n-butyl acetate 1125.62
    n-octanol 698.54
    chloroform 4122.48
    n-propyl acetate 766.44
    acetic acid 3253.43
    dichloromethane 2904.87
    cyclohexanone 3201.37
    propylene glycol 1262.37
    isopropyl acetate 950.19
    DMAc 2355.43
    2-ethoxyethanol 1488.29
    isopentanol 2056.07
    n-heptane 191.57
    ethyl formate 978.52
    1,2-dichloroethane 1833.65
    n-hexanol 1757.36
    2-methoxyethanol 2832.88
    isobutyl acetate 534.12
    tetrachloromethane 781.33
    n-pentyl acetate 694.25
    transcutol 3405.27
    n-heptanol 540.41
    ethylbenzene 484.14
    MIBK 879.23
    2-propoxyethanol 2046.07
    tert-butanol 3069.33
    MTBE 2258.97
    2-butoxyethanol 810.79
    propionic acid 2198.19
    o-xylene 520.4
    formic acid 1107.89
    diethyl ether 2011.36
    m-xylene 579.41
    p-xylene 596.7
    chlorobenzene 1189.48
    dimethyl carbonate 361.24
    n-octane 66.64
    formamide 983.91
    cyclopentanone 2672.36
    2-pentanone 1650.74
    anisole 742.95
    cyclopentyl methyl ether 1924.66
    gamma-butyrolactone 2578.96
    1-methoxy-2-propanol 2015.83
    pyridine 2015.71
    3-pentanone 1199.05
    furfural 1811.1
    n-dodecane 50.68
    diethylene glycol 1323.26
    diisopropyl ether 526.02
    tert-amyl alcohol 2633.18
    acetylacetone 1352.12
    n-hexadecane 57.56
    acetophenone 656.61
    methyl propionate 1080.15
    isopentyl acetate 989.81
    trichloroethylene 2933.07
    n-nonanol 538.83
    cyclohexanol 2423.09
    benzyl alcohol 801.7
    2-ethylhexanol 836.64
    isooctanol 419.19
    dipropyl ether 707.72
    1,2-dichlorobenzene 891.28
    ethyl lactate 372.22
    propylene carbonate 1296.9
    n-methylformamide 1655.25
    2-pentanol 1704.95
    n-pentane 494.04
    1-propoxy-2-propanol 1286.53
    1-methoxy-2-propyl acetate 853.43
    2-(2-methoxypropoxy) propanol 753.57
    mesitylene 348.36
    ε-caprolactone 2304.87
    p-cymene 249.77
    epichlorohydrin 2316.68
    1,1,1-trichloroethane 2017.77
    2-aminoethanol 1656.7
    morpholine-4-carbaldehyde 2231.01
    sulfolane 2839.54
    2,2,4-trimethylpentane 195.55
    2-methyltetrahydrofuran 3318.15
    n-hexyl acetate 1172.1
    isooctane 122.06
    2-(2-butoxyethoxy)ethanol 1061.89
    sec-butyl acetate 592.79
    tert-butyl acetate 992.9
    decalin 259.97
    glycerin 1256.86
    diglyme 1587.88
    acrylic acid 1706.83
    isopropyl myristate 327.76
    n-butyric acid 2466.82
    acetyl acetate 860.54
    di(2-ethylhexyl) phthalate 354.19
    ethyl propionate 671.03
    nitromethane 2785.11
    1,2-diethoxyethane 1034.74
    benzonitrile 1060.72
    trioctyl phosphate 254.45
    1-bromopropane 1708.36
    gamma-valerolactone 2871.91
    n-decanol 351.51
    triethyl phosphate 263.41
    4-methyl-2-pentanol 745.67
    propionitrile 1610.94
    vinylene carbonate 1123.41
    1,1,2-trichlorotrifluoroethane 1853.44
    DMS 629.5
    cumene 307.38
    2-octanol 422.08
    2-hexanone 1105.44
    octyl acetate 439.16
    limonene 474.93
    1,2-dimethoxyethane 2307.87
    ethyl orthosilicate 280.68
    tributyl phosphate 342.75
    diacetone alcohol 1146.47
    N,N-dimethylaniline 514.01
    acrylonitrile 1676.19
    aniline 1195.63
    1,3-propanediol 1819.15
    bromobenzene 1188.93
    dibromomethane 2356.99
    1,1,2,2-tetrachloroethane 2803.91
    2-methyl-cyclohexyl acetate 543.54
    tetrabutyl urea 416.23
    diisobutyl methanol 367.31
    2-phenylethanol 759.11
    styrene 604.9
    dioctyl adipate 483.97
    dimethyl sulfate 651.23
    ethyl butyrate 554.16
    methyl lactate 582.47
    butyl lactate 565.86
    diethyl carbonate 336.78
    propanediol butyl ether 1046.01
    triethyl orthoformate 397.76
    p-tert-butyltoluene 250.58
    methyl 4-tert-butylbenzoate 560.3
    morpholine 3632.11
    tert-butylamine 1979.71
    n-dodecanol 252.21
    dimethoxymethane 1252.37
    ethylene carbonate 1009.64
    cyrene 639.73
    2-ethoxyethyl acetate 778.33
    2-ethylhexyl acetate 739.02
    1,2,4-trichlorobenzene 1023.32
    4-methylpyridine 2310.39
    dibutyl ether 738.6
    2,6-dimethyl-4-heptanol 367.31
    DEF 1784.46
    dimethyl isosorbide 1018.43
    tetrachloroethylene 1901.51
    eugenol 545.11
    triacetin 754.03
    span 80 798.44
    1,4-butanediol 762.3
    1,1-dichloroethane 2319.89
    2-methyl-1-pentanol 1380.0
    methyl formate 1057.45
    2-methyl-1-butanol 2144.45
    n-decane 95.55
    butyronitrile 1748.9
    3,7-dimethyl-1-octanol 685.67
    1-chlorooctane 422.32
    1-chlorotetradecane 134.93
    n-nonane 106.96
    undecane 65.84
    tert-butylcyclohexane 242.77
    cyclooctane 169.79
    cyclopentanol 2507.81
    tetrahydropyran 3558.13
    tert-amyl methyl ether 1559.35
    2,5,8-trioxanonane 1014.66
    1-hexene 1732.95
    2-isopropoxyethanol 1024.49
    2,2,2-trifluoroethanol 750.45
    methyl butyrate 986.45

    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