sec-Butyl acetate, (-)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    54657-08-8

    Molecular formula
    C6H12O2

    SMILES
    CC[C@@H](C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 97.4%
    Sweet 79.72%
    Ethereal 72.44%
    Banana 69.64%
    Apple 53.25%
    Rummy 50.4%
    Pear 49.14%
    Pineapple 48.64%
    Solvent 39.81%
    Fresh 38.82%

     

    Flavor
    Fruity 63.49%
    Sweet 62.26%
    Ethereal 53.15%
    Banana 49.82%
    Herbal 43.04%
    Ether 39.13%
    Bitter 39.05%
    Fruit 38.02%
    Tropical 37.88%
    Solvent 37.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.51 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    112°C

    Flash point

    • 18.32 ˚C est.

  • Synonyms

    • (-)-sec-Butyl acetate
    • (2R)-2-Acetoxybutane
    • (-)-2-Butyl acetate
    • sec-Butyl acetate, (-)-
    • KU2W9MR8SY
    • Acetic acid, (1R)-1-methylpropyl ester
    • 54657-08-8
    • sec-Butyl acetate L-
    • RefChem:1098390
    • sec-Butyl acetate L-form [MI]
    • UNII-KU2W9MR8SY
    • Acetic acid (R)-sec-butyl ester
    • r-2-butyl acetate
    • SCHEMBL1214196
    • SCHEMBL1214198
    • Q27282437
    • 54657-08-8

  • Applications

    sec-Butyl acetate, (-)- (CAS 54657-08-8) is widely used as a solvent in coatings and finishes, inks, and adhesives; it also serves as a solvent in cosmetic and personal care formulations, helping to dissolve fragrance components and additives. It is used as a solvent in plastics and polymer processing to dissolve or blend components; in cleaning formulations and degreasing products as a solvent intermediate for fragrances and additives; and it can function as a chemical intermediate for the synthesis of other materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1133.65
    methanol 1727.22
    isopropanol 1023.48
    water 34.35
    ethyl acetate 463.25
    n-propanol 934.52
    acetone 774.08
    n-butanol 791.23
    acetonitrile 764.44
    DMF 1229.29
    toluene 249.09
    isobutanol 723.73
    1,4-dioxane 882.29
    methyl acetate 559.71
    THF 1022.18
    2-butanone 623.01
    n-pentanol 521.1
    sec-butanol 930.78
    n-hexane 162.68
    ethylene glycol 442.86
    NMP 1179.64
    cyclohexane 119.35
    DMSO 990.44
    n-butyl acetate 250.88
    n-octanol 325.64
    chloroform 1320.16
    n-propyl acetate 220.25
    acetic acid 1054.62
    dichloromethane 1079.11
    cyclohexanone 757.77
    propylene glycol 590.18
    isopropyl acetate 287.83
    DMAc 1139.51
    2-ethoxyethanol 612.06
    isopentanol 578.52
    n-heptane 59.94
    ethyl formate 350.13
    1,2-dichloroethane 539.89
    n-hexanol 538.62
    2-methoxyethanol 1163.96
    isobutyl acetate 148.99
    tetrachloromethane 228.52
    n-pentyl acetate 232.59
    transcutol 1152.12
    n-heptanol 224.03
    ethylbenzene 153.39
    MIBK 292.95
    2-propoxyethanol 735.46
    tert-butanol 1029.13
    MTBE 634.12
    2-butoxyethanol 329.08
    propionic acid 752.17
    o-xylene 198.73
    formic acid 494.79
    diethyl ether 566.48
    m-xylene 208.74
    p-xylene 206.95
    chlorobenzene 340.7
    dimethyl carbonate 160.48
    n-octane 30.54
    formamide 369.62
    cyclopentanone 833.98
    2-pentanone 476.48
    anisole 300.07
    cyclopentyl methyl ether 543.12
    gamma-butyrolactone 882.54
    1-methoxy-2-propanol 881.63
    pyridine 552.16
    3-pentanone 368.57
    furfural 781.54
    n-dodecane 30.45
    diethylene glycol 592.74
    diisopropyl ether 162.49
    tert-amyl alcohol 883.61
    acetylacetone 514.03
    n-hexadecane 32.86
    acetophenone 271.74
    methyl propionate 406.99
    isopentyl acetate 250.72
    trichloroethylene 932.81
    n-nonanol 251.42
    cyclohexanol 624.45
    benzyl alcohol 312.61
    2-ethylhexanol 256.95
    isooctanol 169.72
    dipropyl ether 200.18
    1,2-dichlorobenzene 308.59
    ethyl lactate 173.86
    propylene carbonate 466.19
    n-methylformamide 616.74
    2-pentanol 554.92
    n-pentane 133.23
    1-propoxy-2-propanol 442.72
    1-methoxy-2-propyl acetate 292.91
    2-(2-methoxypropoxy) propanol 348.96
    mesitylene 133.1
    ε-caprolactone 652.91
    p-cymene 104.38
    epichlorohydrin 789.3
    1,1,1-trichloroethane 601.07
    2-aminoethanol 714.5
    morpholine-4-carbaldehyde 1006.29
    sulfolane 1105.58
    2,2,4-trimethylpentane 74.17
    2-methyltetrahydrofuran 875.69
    n-hexyl acetate 442.03
    isooctane 44.94
    2-(2-butoxyethoxy)ethanol 423.57
    sec-butyl acetate 173.88
    tert-butyl acetate 328.82
    decalin 73.76
    glycerin 669.02
    diglyme 615.52
    acrylic acid 634.8
    isopropyl myristate 145.49
    n-butyric acid 692.8
    acetyl acetate 296.81
    di(2-ethylhexyl) phthalate 163.23
    ethyl propionate 234.05
    nitromethane 1019.82
    1,2-diethoxyethane 304.62
    benzonitrile 381.76
    trioctyl phosphate 115.8
    1-bromopropane 474.37
    gamma-valerolactone 1033.86
    n-decanol 172.28
    triethyl phosphate 109.57
    4-methyl-2-pentanol 259.63
    propionitrile 569.22
    vinylene carbonate 441.09
    1,1,2-trichlorotrifluoroethane 658.49
    DMS 263.87
    cumene 130.89
    2-octanol 191.31
    2-hexanone 299.51
    octyl acetate 197.84
    limonene 166.12
    1,2-dimethoxyethane 761.41
    ethyl orthosilicate 109.72
    tributyl phosphate 144.0
    diacetone alcohol 457.47
    N,N-dimethylaniline 240.58
    acrylonitrile 638.56
    aniline 363.6
    1,3-propanediol 766.49
    bromobenzene 341.74
    dibromomethane 745.87
    1,1,2,2-tetrachloroethane 843.69
    2-methyl-cyclohexyl acetate 187.87
    tetrabutyl urea 181.94
    diisobutyl methanol 140.48
    2-phenylethanol 280.83
    styrene 183.84
    dioctyl adipate 202.25
    dimethyl sulfate 306.14
    ethyl butyrate 180.56
    methyl lactate 296.79
    butyl lactate 212.64
    diethyl carbonate 125.55
    propanediol butyl ether 430.49
    triethyl orthoformate 132.41
    p-tert-butyltoluene 106.78
    methyl 4-tert-butylbenzoate 266.62
    morpholine 1010.33
    tert-butylamine 638.7
    n-dodecanol 126.44
    dimethoxymethane 567.29
    ethylene carbonate 348.97
    cyrene 302.4
    2-ethoxyethyl acetate 277.57
    2-ethylhexyl acetate 191.6
    1,2,4-trichlorobenzene 381.75
    4-methylpyridine 667.78
    dibutyl ether 238.68
    2,6-dimethyl-4-heptanol 140.48
    DEF 609.91
    dimethyl isosorbide 456.6
    tetrachloroethylene 544.42
    eugenol 269.03
    triacetin 333.68
    span 80 338.38
    1,4-butanediol 351.88
    1,1-dichloroethane 701.02
    2-methyl-1-pentanol 428.77
    methyl formate 445.42
    2-methyl-1-butanol 625.96
    n-decane 49.45
    butyronitrile 546.27
    3,7-dimethyl-1-octanol 268.03
    1-chlorooctane 183.38
    1-chlorotetradecane 69.64
    n-nonane 52.66
    undecane 36.76
    tert-butylcyclohexane 83.78
    cyclooctane 41.58
    cyclopentanol 764.8
    tetrahydropyran 763.36
    tert-amyl methyl ether 475.56
    2,5,8-trioxanonane 450.63
    1-hexene 352.32
    2-isopropoxyethanol 404.91
    2,2,2-trifluoroethanol 314.06
    methyl butyrate 307.38

    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