2-Methylbutyl Acetate

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  • Identifiers

    CAS number
    624-41-9

    Molecular formula
    C7H14O2

    SMILES
    CCC(C)COC(=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 882.5

  • Odor profile

    Fruity 98.19%
    Sweet 81.08%
    Banana 73.65%
    Ethereal 69.15%
    Apple 63.44%
    Pineapple 55.97%
    Pear 54.86%
    Tropical 49.23%
    Ripe 47.96%
    Rummy 46.0%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.81 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 138.00 °C. @ 741.00 mm Hg

    Flash point est.
    39.22 ˚C

    Solubility expt.

    • soluble in fat; slightly soluble in water

  • Synonyms

    • 2-METHYLBUTYL ACETATE
    • 624-41-9
    • 2-Methyl-1-butyl acetate
    • 1-Butanol, 2-methyl-, acetate
    • Acetic acid 2-methylbutyl ester
    • 2-methyl-1-butanol acetate
    • 2-methylbutanol acetate
    • FEMA No. 3644
    • 1-Butanol, 2-methyl-, 1-acetate
    • 2-Methylbutyl acetate (natural)
    • EINECS 210-843-8
    • Active amyl acetate
    • 2-Methybutyl acetate
    • IY8732E0YC
    • DTXSID2027254
    • CHEBI:50585
    • DTXCID207254
    • XHIUFYZDQBSEMF-UHFFFAOYSA-
    • 2-METHYLBUTYL ACETATE [FCC]
    • 2-METHYLBUTYL ACETATE [FHFI]
    • UNII-IY8732E0YC
    • MFCD00040494
    • 2Methyl1butyl acetate
    • starbld0000221
    • Aceticacidmethylbutylester
    • 1Butanol, 2methyl, acetate
    • ?-METHYLBUTYL ACETATE
    • 1Butanol, 2methyl, 1acetate
    • SCHEMBL309720
    • 2Methylbutyl acetate (natural)
    • CHEMBL3188103
    • FEMA 3644
    • 2-Methylbutyl acetate, 99%, FG
    • Tox21_200883
    • AKOS015902767
    • (+/-)-2-METHYLBUTYL ACETATE
    • NCGC00248864-01
    • NCGC00258437-01
    • 2-METHYLBUTYL ACETATE, (+/-)-
    • CAS-624-41-9
    • LS-13346
    • 2-Methylbutyl acetate, analytical standard
    • 2-Methylbutyl Acetate (Active Amyl Acetate)
    • A1076
    • CS-0454341
    • NS00019439
    • 2-Methylbutyl acetate, natural, >=95%, FG
    • F87378
    • 210-843-8

  • Applications

    2-Methylbutyl acetate (CAS 624-41-9) is a fruity, green-apple-and-banana scented ester widely employed as a flavouring agent in candy, beverages, yogurts, baked goods and tobacco, as a top-note contributor in perfumes and personal-care fragrances; on an industrial scale it serves as a solvent for nitrocellulose lacquers, coatings, printing inks, adhesives, cleaning fluids and essential-oil extraction, as an odorant carrier in sensory tests, a reference standard in chromatographic analysis, an intermediate in pharmaceutical and agrochemical synthesis, and is being explored as a bio-fuel additive and “green” solvent thanks to its moderate volatility, good biodegradability and low toxicity when handled with adequate ventilation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 739.75
    methanol 649.8
    isopropanol 783.44
    water 4.08
    ethyl acetate 220.84
    n-propanol 541.36
    acetone 425.48
    n-butanol 494.04
    acetonitrile 350.75
    DMF 528.13
    toluene 141.52
    isobutanol 455.86
    1,4-dioxane 590.52
    methyl acetate 292.18
    THF 669.45
    2-butanone 345.73
    n-pentanol 326.9
    sec-butanol 630.0
    n-hexane 66.05
    ethylene glycol 180.83
    NMP 453.04
    cyclohexane 84.49
    DMSO 462.58
    n-butyl acetate 264.58
    n-octanol 253.07
    chloroform 1178.41
    n-propyl acetate 146.51
    acetic acid 555.42
    dichloromethane 793.29
    cyclohexanone 472.1
    propylene glycol 386.61
    isopropyl acetate 151.41
    DMAc 465.58
    2-ethoxyethanol 332.1
    isopentanol 410.76
    n-heptane 44.12
    ethyl formate 212.08
    1,2-dichloroethane 350.63
    n-hexanol 423.8
    2-methoxyethanol 571.26
    isobutyl acetate 120.67
    tetrachloromethane 173.38
    n-pentyl acetate 175.19
    transcutol 697.93
    n-heptanol 206.24
    ethylbenzene 113.99
    MIBK 167.44
    2-propoxyethanol 441.35
    tert-butanol 833.69
    MTBE 383.05
    2-butoxyethanol 277.04
    propionic acid 423.38
    o-xylene 130.69
    formic acid 150.4
    diethyl ether 215.86
    m-xylene 119.92
    p-xylene 172.87
    chlorobenzene 225.91
    dimethyl carbonate 64.06
    n-octane 23.06
    formamide 147.02
    cyclopentanone 499.45
    2-pentanone 226.04
    anisole 216.77
    cyclopentyl methyl ether 249.36
    gamma-butyrolactone 495.2
    1-methoxy-2-propanol 475.81
    pyridine 404.63
    3-pentanone 157.44
    furfural 529.89
    n-dodecane 24.3
    diethylene glycol 332.45
    diisopropyl ether 78.21
    tert-amyl alcohol 648.32
    acetylacetone 244.3
    n-hexadecane 26.21
    acetophenone 203.35
    methyl propionate 167.79
    isopentyl acetate 255.42
    trichloroethylene 767.16
    n-nonanol 201.86
    cyclohexanol 448.9
    benzyl alcohol 229.11
    2-ethylhexanol 240.42
    isooctanol 164.97
    dipropyl ether 142.06
    1,2-dichlorobenzene 225.47
    ethyl lactate 118.68
    propylene carbonate 327.43
    n-methylformamide 256.48
    2-pentanol 339.85
    n-pentane 57.24
    1-propoxy-2-propanol 354.24
    1-methoxy-2-propyl acetate 212.24
    2-(2-methoxypropoxy) propanol 301.39
    mesitylene 82.55
    ε-caprolactone 426.0
    p-cymene 101.78
    epichlorohydrin 511.31
    1,1,1-trichloroethane 478.27
    2-aminoethanol 355.04
    morpholine-4-carbaldehyde 496.52
    sulfolane 558.27
    2,2,4-trimethylpentane 45.71
    2-methyltetrahydrofuran 543.89
    n-hexyl acetate 301.64
    isooctane 30.33
    2-(2-butoxyethoxy)ethanol 342.2
    sec-butyl acetate 117.73
    tert-butyl acetate 181.8
    decalin 49.32
    glycerin 362.47
    diglyme 488.89
    acrylic acid 341.77
    isopropyl myristate 119.24
    n-butyric acid 481.0
    acetyl acetate 153.56
    di(2-ethylhexyl) phthalate 142.55
    ethyl propionate 117.69
    nitromethane 462.48
    1,2-diethoxyethane 221.46
    benzonitrile 316.06
    trioctyl phosphate 105.32
    1-bromopropane 290.27
    gamma-valerolactone 604.94
    n-decanol 149.18
    triethyl phosphate 99.84
    4-methyl-2-pentanol 197.01
    propionitrile 306.0
    vinylene carbonate 301.87
    1,1,2-trichlorotrifluoroethane 483.51
    DMS 171.93
    cumene 97.54
    2-octanol 172.75
    2-hexanone 201.27
    octyl acetate 161.26
    limonene 160.49
    1,2-dimethoxyethane 467.38
    ethyl orthosilicate 94.79
    tributyl phosphate 121.3
    diacetone alcohol 298.29
    N,N-dimethylaniline 166.85
    acrylonitrile 350.77
    aniline 233.41
    1,3-propanediol 431.14
    bromobenzene 224.94
    dibromomethane 560.7
    1,1,2,2-tetrachloroethane 700.38
    2-methyl-cyclohexyl acetate 179.89
    tetrabutyl urea 146.01
    diisobutyl methanol 135.71
    2-phenylethanol 242.17
    styrene 136.72
    dioctyl adipate 178.82
    dimethyl sulfate 124.6
    ethyl butyrate 161.56
    methyl lactate 158.74
    butyl lactate 177.74
    diethyl carbonate 116.76
    propanediol butyl ether 351.67
    triethyl orthoformate 124.39
    p-tert-butyltoluene 104.34
    methyl 4-tert-butylbenzoate 231.02
    morpholine 691.58
    tert-butylamine 511.36
    n-dodecanol 113.94
    dimethoxymethane 207.57
    ethylene carbonate 229.92
    cyrene 227.98
    2-ethoxyethyl acetate 198.17
    2-ethylhexyl acetate 192.91
    1,2,4-trichlorobenzene 281.92
    4-methylpyridine 417.05
    dibutyl ether 163.44
    2,6-dimethyl-4-heptanol 135.71
    DEF 253.86
    dimethyl isosorbide 360.81
    tetrachloroethylene 407.2
    eugenol 234.57
    triacetin 252.12
    span 80 328.07
    1,4-butanediol 208.47
    1,1-dichloroethane 526.51
    2-methyl-1-pentanol 311.06
    methyl formate 176.15
    2-methyl-1-butanol 394.19
    n-decane 37.04
    butyronitrile 367.46
    3,7-dimethyl-1-octanol 245.05
    1-chlorooctane 127.66
    1-chlorotetradecane 56.04
    n-nonane 36.16
    undecane 29.23
    tert-butylcyclohexane 54.18
    cyclooctane 25.71
    cyclopentanol 519.73
    tetrahydropyran 509.69
    tert-amyl methyl ether 263.18
    2,5,8-trioxanonane 380.53
    1-hexene 203.43
    2-isopropoxyethanol 255.74
    2,2,2-trifluoroethanol 147.66
    methyl butyrate 194.52

    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 (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.62%
Pimento (Allspice) 2 8006-77-7 Pimenta dioica (L.) Merr. (P. officinalis Lindl.), fam. Myrtaceae 0.01%
Myrtle leaf (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle flower (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.06%
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 2.8%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 4.24%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.59%
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.23%
Laurel leaf (Czechia) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%