3-Methylpentyl acetate

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  • Identifiers

    CAS number
    35897-13-3

    Molecular formula
    C8H16O2

    SMILES
    CCC(C)CCOC(=O)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 96.12%
    Sweet 75.6%
    Banana 62.81%
    Apple 52.9%
    Green 52.39%
    Pear 50.22%
    Fresh 46.86%
    Herbal 41.3%
    Floral 41.21%
    Ethereal 38.59%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    164°C

    Flash point est.
    50.67 ˚C

  • Synonyms

    • 3-Methylpentyl acetate
    • 35897-13-3
    • EINECS 252-785-6
    • NFYJZIICTJCGOR-UHFFFAOYSA-
    • DTXSID90957312
    • 3-METHYLPENTYLACETATE
    • Acetic Acid 3-Methylpentyl Ester
    • SCHEMBL4840226
    • Acetic acid, 3-methylpentyl ester
    • DTXCID201385253
    • A1365
    • CS-0451661
    • NS00058929
    • D88426
    • 252-785-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2710.19
    methanol 3241.46
    isopropanol 1833.48
    water 4.95
    ethyl acetate 867.5
    n-propanol 1538.71
    acetone 1519.14
    n-butanol 1395.32
    acetonitrile 1039.34
    DMF 1285.74
    toluene 337.29
    isobutanol 988.48
    1,4-dioxane 2331.51
    methyl acetate 737.83
    THF 2345.65
    2-butanone 814.57
    n-pentanol 811.45
    sec-butanol 1153.01
    n-hexane 154.56
    ethylene glycol 429.62
    NMP 1171.74
    cyclohexane 243.84
    DMSO 1446.5
    n-butyl acetate 666.05
    n-octanol 287.68
    chloroform 2422.49
    n-propyl acetate 460.38
    acetic acid 1987.58
    dichloromethane 1622.24
    cyclohexanone 1434.05
    propylene glycol 684.61
    isopropyl acetate 483.84
    DMAc 893.35
    2-ethoxyethanol 910.99
    isopentanol 991.13
    n-heptane 61.28
    ethyl formate 584.29
    1,2-dichloroethane 905.56
    n-hexanol 829.01
    2-methoxyethanol 1752.46
    isobutyl acetate 281.0
    tetrachloromethane 385.5
    n-pentyl acetate 335.16
    transcutol 2619.74
    n-heptanol 270.59
    ethylbenzene 187.78
    MIBK 371.93
    2-propoxyethanol 1055.85
    tert-butanol 1817.52
    MTBE 871.43
    2-butoxyethanol 482.49
    propionic acid 1055.54
    o-xylene 228.06
    formic acid 631.2
    diethyl ether 845.01
    m-xylene 234.3
    p-xylene 271.6
    chlorobenzene 550.57
    dimethyl carbonate 148.64
    n-octane 20.34
    formamide 690.68
    cyclopentanone 1324.41
    2-pentanone 685.52
    anisole 440.65
    cyclopentyl methyl ether 891.94
    gamma-butyrolactone 1429.28
    1-methoxy-2-propanol 1129.49
    pyridine 1305.58
    3-pentanone 409.82
    furfural 1231.26
    n-dodecane 16.8
    diethylene glycol 779.33
    diisopropyl ether 195.77
    tert-amyl alcohol 1200.79
    acetylacetone 686.97
    n-hexadecane 19.05
    acetophenone 370.16
    methyl propionate 488.39
    isopentyl acetate 545.23
    trichloroethylene 1799.78
    n-nonanol 239.87
    cyclohexanol 1237.31
    benzyl alcohol 447.84
    2-ethylhexanol 403.91
    isooctanol 204.61
    dipropyl ether 348.47
    1,2-dichlorobenzene 453.7
    ethyl lactate 225.08
    propylene carbonate 727.53
    n-methylformamide 800.41
    2-pentanol 740.78
    n-pentane 114.81
    1-propoxy-2-propanol 700.66
    1-methoxy-2-propyl acetate 509.61
    2-(2-methoxypropoxy) propanol 508.74
    mesitylene 147.57
    ε-caprolactone 1180.05
    p-cymene 122.02
    epichlorohydrin 1426.66
    1,1,1-trichloroethane 1087.55
    2-aminoethanol 982.34
    morpholine-4-carbaldehyde 1323.16
    sulfolane 1371.28
    2,2,4-trimethylpentane 53.98
    2-methyltetrahydrofuran 1778.16
    n-hexyl acetate 527.61
    isooctane 35.78
    2-(2-butoxyethoxy)ethanol 756.04
    sec-butyl acetate 320.27
    tert-butyl acetate 524.44
    decalin 84.76
    glycerin 670.2
    diglyme 1233.95
    acrylic acid 818.93
    isopropyl myristate 165.51
    n-butyric acid 1449.85
    acetyl acetate 494.42
    di(2-ethylhexyl) phthalate 194.92
    ethyl propionate 363.65
    nitromethane 1729.24
    1,2-diethoxyethane 671.01
    benzonitrile 629.39
    trioctyl phosphate 130.01
    1-bromopropane 591.82
    gamma-valerolactone 1705.93
    n-decanol 164.56
    triethyl phosphate 162.64
    4-methyl-2-pentanol 349.57
    propionitrile 721.44
    vinylene carbonate 657.26
    1,1,2-trichlorotrifluoroethane 1171.65
    DMS 332.99
    cumene 130.92
    2-octanol 185.04
    2-hexanone 501.76
    octyl acetate 221.61
    limonene 215.8
    1,2-dimethoxyethane 1297.28
    ethyl orthosilicate 167.77
    tributyl phosphate 181.6
    diacetone alcohol 648.02
    N,N-dimethylaniline 264.5
    acrylonitrile 786.85
    aniline 671.01
    1,3-propanediol 1228.12
    bromobenzene 539.72
    dibromomethane 1126.96
    1,1,2,2-tetrachloroethane 1601.53
    2-methyl-cyclohexyl acetate 325.65
    tetrabutyl urea 202.14
    diisobutyl methanol 192.97
    2-phenylethanol 459.47
    styrene 258.9
    dioctyl adipate 280.51
    dimethyl sulfate 247.98
    ethyl butyrate 388.69
    methyl lactate 319.9
    butyl lactate 291.82
    diethyl carbonate 248.11
    propanediol butyl ether 579.63
    triethyl orthoformate 269.57
    p-tert-butyltoluene 125.06
    methyl 4-tert-butylbenzoate 314.99
    morpholine 2894.77
    tert-butylamine 1103.02
    n-dodecanol 116.75
    dimethoxymethane 583.17
    ethylene carbonate 573.11
    cyrene 401.59
    2-ethoxyethyl acetate 449.63
    2-ethylhexyl acetate 405.03
    1,2,4-trichlorobenzene 570.89
    4-methylpyridine 1136.48
    dibutyl ether 330.53
    2,6-dimethyl-4-heptanol 192.97
    DEF 729.33
    dimethyl isosorbide 688.08
    tetrachloroethylene 1094.81
    eugenol 346.07
    triacetin 469.0
    span 80 541.16
    1,4-butanediol 429.69
    1,1-dichloroethane 1141.44
    2-methyl-1-pentanol 633.49
    methyl formate 494.14
    2-methyl-1-butanol 865.3
    n-decane 30.26
    butyronitrile 901.24
    3,7-dimethyl-1-octanol 299.51
    1-chlorooctane 144.38
    1-chlorotetradecane 50.46
    n-nonane 30.14
    undecane 21.33
    tert-butylcyclohexane 76.81
    cyclooctane 52.13
    cyclopentanol 1253.04
    tetrahydropyran 1970.21
    tert-amyl methyl ether 549.19
    2,5,8-trioxanonane 801.56
    1-hexene 479.48
    2-isopropoxyethanol 557.53
    2,2,2-trifluoroethanol 424.91
    methyl butyrate 540.68

    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

Botanical

Name CAS Botanical Proportion
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.94%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 2.17%