2-Butyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    819-97-6

    Molecular formula
    C8H16O2

    SMILES
    CCCC(=O)OC(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 97.98%
    Sweet 74.39%
    Pineapple 69.83%
    Apple 68.87%
    Banana 62.93%
    Ethereal 56.86%
    Tropical 44.82%
    Ripe 44.74%
    Pear 44.24%
    Rummy 41.48%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    152°C

    Flash point est.
    46.01 ˚C

  • Synonyms

    • sec-Butyl butyrate
    • 819-97-6
    • 2-Butyl butyrate
    • butan-2-yl butanoate
    • Butyric acid, sec-butyl ester
    • sec-Butyl n-butyrate
    • Butanoic acid, 1-methylpropyl ester
    • 1-methylpropyl butanoate
    • EINECS 212-465-9
    • SEC-BUTYL BUTANOATE
    • F3V310161P
    • 1-METHYLPROPYL BUTYRATE
    • CHEBI:87318
    • DTXSID80862426
    • sec-butylbutyrate
    • UNII-F3V310161P
    • secButyl nbutyrate
    • MFCD15072150
    • Butyric Acid sec-Butyl Ester
    • Butanoic acid, 2-butyl ester
    • SCHEMBL1585214
    • DTXCID00811193
    • B3559
    • NS00042383
    • D89025
    • Q27159521
    • 212-465-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4365.0
    methanol 5474.77
    isopropanol 4181.02
    water 7.64
    ethyl acetate 1799.25
    n-propanol 3536.8
    acetone 3195.38
    n-butanol 3151.89
    acetonitrile 3277.8
    DMF 3162.45
    toluene 1102.55
    isobutanol 2797.04
    1,4-dioxane 3353.03
    methyl acetate 1669.37
    THF 3958.06
    2-butanone 2167.92
    n-pentanol 2417.2
    sec-butanol 3763.59
    n-hexane 1273.68
    ethylene glycol 663.66
    NMP 2851.74
    cyclohexane 1501.93
    DMSO 2726.57
    n-butyl acetate 2024.33
    n-octanol 1617.21
    chloroform 8462.83
    n-propyl acetate 1243.5
    acetic acid 4109.92
    dichloromethane 6089.86
    cyclohexanone 3677.32
    propylene glycol 1191.96
    isopropyl acetate 1095.35
    DMAc 2289.75
    2-ethoxyethanol 1693.52
    isopentanol 2601.32
    n-heptane 567.42
    ethyl formate 1593.1
    1,2-dichloroethane 2867.26
    n-hexanol 2816.86
    2-methoxyethanol 2776.06
    isobutyl acetate 821.48
    tetrachloromethane 1305.48
    n-pentyl acetate 1269.28
    transcutol 3437.49
    n-heptanol 1159.39
    ethylbenzene 826.84
    MIBK 1035.88
    2-propoxyethanol 2326.15
    tert-butanol 3922.03
    MTBE 2390.38
    2-butoxyethanol 1290.81
    propionic acid 2516.46
    o-xylene 740.96
    formic acid 951.37
    diethyl ether 2155.6
    m-xylene 674.19
    p-xylene 1207.32
    chlorobenzene 2029.92
    dimethyl carbonate 481.4
    n-octane 229.67
    formamide 975.57
    cyclopentanone 3147.61
    2-pentanone 1822.83
    anisole 1216.65
    cyclopentyl methyl ether 1938.16
    gamma-butyrolactone 3356.42
    1-methoxy-2-propanol 2102.47
    pyridine 3403.65
    3-pentanone 1222.06
    furfural 2766.43
    n-dodecane 184.71
    diethylene glycol 1348.73
    diisopropyl ether 666.99
    tert-amyl alcohol 3417.32
    acetylacetone 1467.29
    n-hexadecane 205.31
    acetophenone 1121.58
    methyl propionate 1209.58
    isopentyl acetate 1705.45
    trichloroethylene 5526.03
    n-nonanol 1206.38
    cyclohexanol 3279.71
    benzyl alcohol 1263.19
    2-ethylhexanol 1505.23
    isooctanol 905.28
    dipropyl ether 1289.37
    1,2-dichlorobenzene 1566.11
    ethyl lactate 572.4
    propylene carbonate 1946.83
    n-methylformamide 1882.32
    2-pentanol 2310.93
    n-pentane 882.03
    1-propoxy-2-propanol 1763.89
    1-methoxy-2-propyl acetate 1104.22
    2-(2-methoxypropoxy) propanol 1030.08
    mesitylene 482.01
    ε-caprolactone 2833.58
    p-cymene 557.0
    epichlorohydrin 3099.64
    1,1,1-trichloroethane 3273.87
    2-aminoethanol 1492.28
    morpholine-4-carbaldehyde 2348.32
    sulfolane 3387.46
    2,2,4-trimethylpentane 334.8
    2-methyltetrahydrofuran 3375.35
    n-hexyl acetate 2099.12
    isooctane 237.26
    2-(2-butoxyethoxy)ethanol 1377.75
    sec-butyl acetate 798.77
    tert-butyl acetate 1075.12
    decalin 468.34
    glycerin 1124.11
    diglyme 2232.38
    acrylic acid 1996.67
    isopropyl myristate 684.54
    n-butyric acid 3352.64
    acetyl acetate 1068.77
    di(2-ethylhexyl) phthalate 615.03
    ethyl propionate 963.45
    nitromethane 3594.58
    1,2-diethoxyethane 1432.01
    benzonitrile 2117.23
    trioctyl phosphate 500.93
    1-bromopropane 2655.93
    gamma-valerolactone 3375.97
    n-decanol 803.14
    triethyl phosphate 506.67
    4-methyl-2-pentanol 1078.74
    propionitrile 2596.06
    vinylene carbonate 1878.65
    1,1,2-trichlorotrifluoroethane 2341.89
    DMS 884.79
    cumene 576.22
    2-octanol 1041.01
    2-hexanone 1593.37
    octyl acetate 907.14
    limonene 938.89
    1,2-dimethoxyethane 2986.58
    ethyl orthosilicate 492.03
    tributyl phosphate 623.61
    diacetone alcohol 1210.73
    N,N-dimethylaniline 870.56
    acrylonitrile 2637.99
    aniline 1460.73
    1,3-propanediol 2011.7
    bromobenzene 2243.36
    dibromomethane 4510.21
    1,1,2,2-tetrachloroethane 4755.76
    2-methyl-cyclohexyl acetate 935.76
    tetrabutyl urea 759.08
    diisobutyl methanol 711.62
    2-phenylethanol 1218.36
    styrene 1101.54
    dioctyl adipate 922.06
    dimethyl sulfate 751.79
    ethyl butyrate 1109.73
    methyl lactate 699.01
    butyl lactate 940.53
    diethyl carbonate 758.67
    propanediol butyl ether 1426.07
    triethyl orthoformate 746.66
    p-tert-butyltoluene 518.96
    methyl 4-tert-butylbenzoate 982.1
    morpholine 4007.37
    tert-butylamine 2846.04
    n-dodecanol 594.01
    dimethoxymethane 1407.78
    ethylene carbonate 1584.37
    cyrene 801.03
    2-ethoxyethyl acetate 1047.13
    2-ethylhexyl acetate 1265.39
    1,2,4-trichlorobenzene 1710.01
    4-methylpyridine 3200.93
    dibutyl ether 1483.81
    2,6-dimethyl-4-heptanol 711.62
    DEF 2035.09
    dimethyl isosorbide 1372.93
    tetrachloroethylene 3046.97
    eugenol 959.11
    triacetin 1187.16
    span 80 1226.73
    1,4-butanediol 971.16
    1,1-dichloroethane 4036.73
    2-methyl-1-pentanol 2056.24
    methyl formate 1349.1
    2-methyl-1-butanol 2505.72
    n-decane 327.7
    butyronitrile 3201.12
    3,7-dimethyl-1-octanol 1276.71
    1-chlorooctane 1020.87
    1-chlorotetradecane 370.97
    n-nonane 356.94
    undecane 233.54
    tert-butylcyclohexane 445.46
    cyclooctane 344.15
    cyclopentanol 3155.62
    tetrahydropyran 4166.73
    tert-amyl methyl ether 1590.06
    2,5,8-trioxanonane 1474.75
    1-hexene 2556.86
    2-isopropoxyethanol 1172.37
    2,2,2-trifluoroethanol 827.78
    methyl butyrate 1635.6

    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
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 0.34%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 0.88%