4-Methyl-2-pentyl acetate

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  • Identifiers

    CAS number
    108-84-9

    Molecular formula
    C8H16O2

    SMILES
    CC(C)CC(C)OC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.92%
    Sweet 67.89%
    Banana 60.01%
    Apple 48.07%
    Ethereal 46.75%
    Fresh 44.02%
    Herbal 41.69%
    Green 41.21%
    Pear 38.67%
    Pineapple 34.05%

     

    Flavor
    Fruity 61.14%
    Tropical 45.86%
    Herbal 44.35%
    Sweet 36.54%
    Banana 35.99%
    Green 33.43%
    Ethereal 32.09%
    Fruit 26.96%
    Bitter 26.79%
    Pineapple 26.17%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.39 [mmHg]. Odor threshold from AIHA

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.53 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -82.8 °F (USCG, 1999)
    • Freezing point = -63.8 °C
    • -64 °C
    • -83 °F

    Boiling point

    • 295.2 °F at 760 mmHg (USCG, 1999)
    • 147.5 °C
    • HEXYL ACETATE EXISTS IN FORM OF SEVERAL ISOMERS WITH BOILING POINTS RANGING FROM 146-156 °C
    • 146 °C
    • 297 °F

    Flash point

    • 49.18 ˚C est.
    • 113 °F (USCG, 1999)
    • 45 °C
    • 110 °F (Open cup)
    • 113 °F; 45 °C (Closed cup)
    • 45 °C c.c.
    • 113 °F

    Solubility expt.

    • 0.08 % (NIOSH, 2024)
    • Very soluble in ethyl ether and ethanol.
    • 0.08 G/100 ML WATER
    • 0.13%WT in aq, 20 °C; 0.57%w aq in, 20 °C
    • Miscible with alcohol
    • Solubility in water: none
    • 0.08%

  • Synonyms

    • 1,3-Dimethylbutyl acetate
    • 108-84-9
    • 4-METHYL-2-PENTYL ACETATE
    • Methylamyl acetate
    • Methylisoamyl acetate
    • 4-Methyl-2-amyl acetate
    • sec-Hexyl acetate
    • 1,3-Dimethylbutyl ethanoate
    • Methyl amyl acetate
    • Methylisobutylcarbinol acetate
    • Methylisobutylcarbinyl acetate
    • 2-Pentanol, 4-methyl-, acetate
    • 4-methylpentan-2-yl acetate
    • 4-Methyl-2-pentanol, acetate
    • MAAc
    • NSC 567
    • 4-Methyl-2-pentanol acetate
    • Acetic acid, 1,3-dimethylbutyl ester
    • HSDB 1155
    • IP9ZB28RWN
    • 2-Pentanol, 4-methyl-, 2-acetate
    • EINECS 203-621-7
    • UN1233
    • 1,3-Dimethylbutylester kyseliny octove
    • BRN 1749848
    • sek.Isohexylester kyseliny octove [Czech]
    • sek.Isohexylester kyseliny octove
    • AI3-11271
    • NSC-567
    • 1,3-Dimethylbutylester kyseliny octove [Czech]
    • Acetic Acid 1,3-Dimethylbutyl Ester
    • Acetic Acid 4-Methyl-2-pentyl Ester
    • DTXSID6051562
    • METHYL AMYL ACETATE [HSDB]
    • 4-02-00-00161 (Beilstein Handbook Reference)
    • 4-METHYLPENT-2-YL ETHANOATE
    • sek.Isohexylester kyseliny octove (Czech)
    • 1,3-Dimethylbutylester kyseliny octove (Czech)
    • UNII-IP9ZB28RWN
    • MFCD00053723
    • 4Methyl2amyl acetate
    • 4Methyl2pentyl acetate
    • 1,3Dimethylbutyl acetate
    • 2-Methyl-4-pentylacetat
    • 4Methyl2pentanol, acetate
    • 1,3Dimethylbutyl ethanoate
    • 4-Methylpent-2-yl acetate
    • 2-methyl-4-pentanol acetate
    • 2Pentanol, 4methyl, acetate
    • SCHEMBL766233
    • NSC567
    • DTXCID0030114
    • CPIVYSAVIPTCCX-UHFFFAOYSA-
    • Acetic acid,3-dimethylbutyl ester
    • sec-Hexyl acetate (ACGIH:OSHA)
    • Acetic acid, 1,3dimethylbutyl ester
    • 1,3Dimethylbutylester kyseliny octove
    • AKOS015903892
    • METHYL ISOBUTYL CARBINYL ACETATE
    • UN 1233
    • 2-PENTANOL, 4-METHYL, ACETATE
    • WLN: 1Y1 & 1Y1 & OV1
    • A1347
    • NS00012273
    • D88423
    • Methylamyl acetate [UN1233] [Flammable liquid]
    • Q20966927
    • InChI=1/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3
    • 203-621-7

  • Applications

    4-Methyl-2-pentyl acetate (CAS 108-84-9) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, providing fruity notes in fragrance formulations; it may also function as a solvent or processing aid in fragrance and flavor formulations and can serve as an intermediate in organic synthesis; it is encountered in household products such as air fresheners and scented cleaners as a fragrance component; in coatings, inks and adhesives, it can act as a mild solvent for formulation work; in polymer and plastics processing, it may appear as a processing aid in solventborne systems; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1704.16
    methanol 2471.07
    isopropanol 1175.99
    water 21.01
    ethyl acetate 630.9
    n-propanol 1109.78
    acetone 973.65
    n-butanol 988.97
    acetonitrile 800.53
    DMF 973.6
    toluene 289.96
    isobutanol 753.26
    1,4-dioxane 1677.61
    methyl acetate 577.55
    THF 2317.63
    2-butanone 541.83
    n-pentanol 593.47
    sec-butanol 900.88
    n-hexane 299.53
    ethylene glycol 378.64
    NMP 1195.08
    cyclohexane 451.28
    DMSO 738.85
    n-butyl acetate 539.38
    n-octanol 509.33
    chloroform 2016.97
    n-propyl acetate 338.46
    acetic acid 1873.79
    dichloromethane 1427.89
    cyclohexanone 1266.31
    propylene glycol 527.43
    isopropyl acetate 379.11
    DMAc 812.78
    2-ethoxyethanol 555.51
    isopentanol 693.19
    n-heptane 198.07
    ethyl formate 525.07
    1,2-dichloroethane 675.85
    n-hexanol 1015.75
    2-methoxyethanol 1191.73
    isobutyl acetate 223.79
    tetrachloromethane 355.83
    n-pentyl acetate 358.24
    transcutol 1575.86
    n-heptanol 350.58
    ethylbenzene 185.09
    MIBK 308.66
    2-propoxyethanol 1047.47
    tert-butanol 1182.0
    MTBE 662.88
    2-butoxyethanol 440.87
    propionic acid 908.02
    o-xylene 217.77
    formic acid 665.28
    diethyl ether 727.53
    m-xylene 225.0
    p-xylene 263.58
    chlorobenzene 429.62
    dimethyl carbonate 182.69
    n-octane 60.19
    formamide 454.58
    cyclopentanone 1086.7
    2-pentanone 508.51
    anisole 308.58
    cyclopentyl methyl ether 915.34
    gamma-butyrolactone 1390.65
    1-methoxy-2-propanol 785.15
    pyridine 712.96
    3-pentanone 361.99
    furfural 955.82
    n-dodecane 52.16
    diethylene glycol 674.63
    diisopropyl ether 215.36
    tert-amyl alcohol 921.0
    acetylacetone 550.29
    n-hexadecane 56.89
    acetophenone 287.26
    methyl propionate 445.69
    isopentyl acetate 429.21
    trichloroethylene 1225.59
    n-nonanol 401.34
    cyclohexanol 1174.35
    benzyl alcohol 317.08
    2-ethylhexanol 481.45
    isooctanol 244.63
    dipropyl ether 439.19
    1,2-dichlorobenzene 381.5
    ethyl lactate 185.11
    propylene carbonate 805.28
    n-methylformamide 602.85
    2-pentanol 616.4
    n-pentane 254.92
    1-propoxy-2-propanol 675.47
    1-methoxy-2-propyl acetate 433.24
    2-(2-methoxypropoxy) propanol 444.4
    mesitylene 157.77
    ε-caprolactone 1065.33
    p-cymene 162.45
    epichlorohydrin 1052.55
    1,1,1-trichloroethane 788.17
    2-aminoethanol 658.58
    morpholine-4-carbaldehyde 1130.29
    sulfolane 1097.99
    2,2,4-trimethylpentane 98.63
    2-methyltetrahydrofuran 1504.57
    n-hexyl acetate 700.64
    isooctane 59.73
    2-(2-butoxyethoxy)ethanol 624.43
    sec-butyl acetate 229.71
    tert-butyl acetate 397.56
    decalin 132.67
    glycerin 557.58
    diglyme 828.71
    acrylic acid 684.92
    isopropyl myristate 245.64
    n-butyric acid 1106.76
    acetyl acetate 481.68
    di(2-ethylhexyl) phthalate 236.38
    ethyl propionate 300.3
    nitromethane 1278.41
    1,2-diethoxyethane 499.16
    benzonitrile 447.26
    trioctyl phosphate 181.73
    1-bromopropane 560.7
    gamma-valerolactone 1384.28
    n-decanol 278.39
    triethyl phosphate 178.11
    4-methyl-2-pentanol 299.07
    propionitrile 552.95
    vinylene carbonate 713.6
    1,1,2-trichlorotrifluoroethane 823.93
    DMS 361.55
    cumene 143.87
    2-octanol 288.9
    2-hexanone 369.36
    octyl acetate 327.96
    limonene 320.92
    1,2-dimethoxyethane 890.82
    ethyl orthosilicate 178.09
    tributyl phosphate 225.89
    diacetone alcohol 470.92
    N,N-dimethylaniline 224.22
    acrylonitrile 550.73
    aniline 401.32
    1,3-propanediol 789.2
    bromobenzene 422.68
    dibromomethane 1081.0
    1,1,2,2-tetrachloroethane 1080.26
    2-methyl-cyclohexyl acetate 330.0
    tetrabutyl urea 275.27
    diisobutyl methanol 214.92
    2-phenylethanol 402.76
    styrene 205.12
    dioctyl adipate 344.25
    dimethyl sulfate 262.96
    ethyl butyrate 326.73
    methyl lactate 266.32
    butyl lactate 293.76
    diethyl carbonate 239.39
    propanediol butyl ether 531.84
    triethyl orthoformate 255.91
    p-tert-butyltoluene 161.06
    methyl 4-tert-butylbenzoate 343.96
    morpholine 1790.54
    tert-butylamine 791.34
    n-dodecanol 205.67
    dimethoxymethane 632.9
    ethylene carbonate 621.34
    cyrene 364.15
    2-ethoxyethyl acetate 405.72
    2-ethylhexyl acetate 362.2
    1,2,4-trichlorobenzene 451.93
    4-methylpyridine 737.48
    dibutyl ether 431.14
    2,6-dimethyl-4-heptanol 214.92
    DEF 574.87
    dimethyl isosorbide 733.26
    tetrachloroethylene 720.55
    eugenol 315.01
    triacetin 490.9
    span 80 532.54
    1,4-butanediol 306.76
    1,1-dichloroethane 824.05
    2-methyl-1-pentanol 458.78
    methyl formate 494.87
    2-methyl-1-butanol 668.36
    n-decane 88.6
    butyronitrile 686.31
    3,7-dimethyl-1-octanol 387.01
    1-chlorooctane 282.24
    1-chlorotetradecane 112.1
    n-nonane 96.01
    undecane 64.52
    tert-butylcyclohexane 122.96
    cyclooctane 128.69
    cyclopentanol 1153.49
    tetrahydropyran 1626.01
    tert-amyl methyl ether 519.76
    2,5,8-trioxanonane 650.28
    1-hexene 515.65
    2-isopropoxyethanol 362.64
    2,2,2-trifluoroethanol 455.21
    methyl butyrate 420.19

    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