Methionyl butyrate

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  • Identifiers

    CAS number
    16630-60-7

    Molecular formula
    C8H16O2S

    SMILES
    CCCC(=O)OCCCSC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 87.28%
    Sulfurous 83.33%
    Tropical 71.84%
    Cheesy 58.47%
    Pineapple 53.18%
    Vegetable 47.11%
    Onion 45.44%
    Cabbage 42.04%
    Green 41.69%
    Sweet 41.0%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    176.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 232.00 °C. @ 760.00 mm Hg

    Flash point est.
    87.92 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 16630-60-7
    • Methionyl butyrate
    • 3-(Methylthio)propyl butyrate
    • 3-methylsulfanylpropyl butanoate
    • 3-(METHYLSULFANYL)PROPYL BUTANOATE
    • Butanoic acid 3-(methylthio)propyl ester
    • Butanoic acid, 3-(methylthio)propyl ester
    • 3-(methylthio)propyl butanoate
    • V3QG29SI0P
    • EINECS 240-680-8
    • FEMA NO. 4160
    • METHIONYL BUTYRATE [FHFI]
    • DTXSID50168088
    • 1-PROPANOL, 3-(METHYLTHIO)-, BUTYRATE
    • BUTYRIC ACID, 3-(METHYLTHIO)PROPYL ESTER
    • UNII-V3QG29SI0P
    • 3-(Methylthio)propylbutyrate
    • 3-methylsulanylpropyl butanoate
    • SCHEMBL3504092
    • DTXCID7090579
    • CHEBI:191929
    • MFCD28098304
    • AKOS030571120
    • AS-40069
    • DB-365654
    • NS00021735
    • Q27291500

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4573.32
    methanol 5792.97
    isopropanol 3307.39
    water 2.02
    ethyl acetate 2622.27
    n-propanol 3052.9
    acetone 7172.71
    n-butanol 2628.96
    acetonitrile 4144.39
    DMF 6021.28
    toluene 1598.33
    isobutanol 2296.49
    1,4-dioxane 4492.79
    methyl acetate 2323.17
    THF 4902.59
    2-butanone 3672.38
    n-pentanol 2064.41
    sec-butanol 2563.99
    n-hexane 510.42
    ethylene glycol 658.31
    NMP 4098.44
    cyclohexane 1031.13
    DMSO 7279.89
    n-butyl acetate 2156.39
    n-octanol 823.34
    chloroform 8162.77
    n-propyl acetate 1849.32
    acetic acid 5888.64
    dichloromethane 6183.95
    cyclohexanone 6222.06
    propylene glycol 903.22
    isopropyl acetate 1411.92
    DMAc 3133.27
    2-ethoxyethanol 2146.84
    isopentanol 2096.01
    n-heptane 207.74
    ethyl formate 1875.86
    1,2-dichloroethane 4296.45
    n-hexanol 1707.83
    2-methoxyethanol 3504.28
    isobutyl acetate 1040.06
    tetrachloromethane 1093.68
    n-pentyl acetate 1373.59
    transcutol 6260.22
    n-heptanol 665.44
    ethylbenzene 780.28
    MIBK 1390.8
    2-propoxyethanol 2154.14
    tert-butanol 3148.91
    MTBE 2230.9
    2-butoxyethanol 1207.72
    propionic acid 2750.86
    o-xylene 832.84
    formic acid 1589.27
    diethyl ether 2472.76
    m-xylene 885.97
    p-xylene 1145.55
    chlorobenzene 2596.61
    dimethyl carbonate 608.6
    n-octane 94.15
    formamide 2085.33
    cyclopentanone 4972.25
    2-pentanone 2812.24
    anisole 1405.16
    cyclopentyl methyl ether 2395.59
    gamma-butyrolactone 4310.42
    1-methoxy-2-propanol 2309.37
    pyridine 5047.39
    3-pentanone 1790.03
    furfural 3802.42
    n-dodecane 65.53
    diethylene glycol 1459.5
    diisopropyl ether 565.39
    tert-amyl alcohol 2313.52
    acetylacetone 2710.83
    n-hexadecane 77.18
    acetophenone 1483.27
    methyl propionate 1610.64
    isopentyl acetate 1710.68
    trichloroethylene 8354.87
    n-nonanol 649.09
    cyclohexanol 3230.47
    benzyl alcohol 1444.81
    2-ethylhexanol 933.56
    isooctanol 558.04
    dipropyl ether 962.8
    1,2-dichlorobenzene 1972.14
    ethyl lactate 600.7
    propylene carbonate 2154.48
    n-methylformamide 3028.81
    2-pentanol 1682.48
    n-pentane 344.02
    1-propoxy-2-propanol 1626.58
    1-methoxy-2-propyl acetate 1410.6
    2-(2-methoxypropoxy) propanol 1012.51
    mesitylene 545.5
    ε-caprolactone 4152.87
    p-cymene 403.64
    epichlorohydrin 4147.21
    1,1,1-trichloroethane 4214.31
    2-aminoethanol 1469.25
    morpholine-4-carbaldehyde 3733.33
    sulfolane 4943.67
    2,2,4-trimethylpentane 131.18
    2-methyltetrahydrofuran 4056.68
    n-hexyl acetate 1765.59
    isooctane 99.59
    2-(2-butoxyethoxy)ethanol 1584.23
    sec-butyl acetate 1058.57
    tert-butyl acetate 1425.14
    decalin 279.26
    glycerin 1132.01
    diglyme 3064.93
    acrylic acid 2458.21
    isopropyl myristate 512.53
    n-butyric acid 3832.02
    acetyl acetate 1537.39
    di(2-ethylhexyl) phthalate 485.61
    ethyl propionate 1200.92
    nitromethane 6609.95
    1,2-diethoxyethane 1986.34
    benzonitrile 2672.68
    trioctyl phosphate 364.53
    1-bromopropane 2475.36
    gamma-valerolactone 5384.72
    n-decanol 433.43
    triethyl phosphate 452.6
    4-methyl-2-pentanol 777.66
    propionitrile 2588.65
    vinylene carbonate 2218.79
    1,1,2-trichlorotrifluoroethane 3367.27
    DMS 1075.63
    cumene 446.59
    2-octanol 589.17
    2-hexanone 2256.94
    octyl acetate 664.7
    limonene 711.38
    1,2-dimethoxyethane 3763.39
    ethyl orthosilicate 459.55
    tributyl phosphate 512.7
    diacetone alcohol 1572.55
    N,N-dimethylaniline 900.82
    acrylonitrile 3192.35
    aniline 1967.07
    1,3-propanediol 2049.97
    bromobenzene 2714.43
    dibromomethane 4508.13
    1,1,2,2-tetrachloroethane 6588.34
    2-methyl-cyclohexyl acetate 924.9
    tetrabutyl urea 692.48
    diisobutyl methanol 501.95
    2-phenylethanol 1181.14
    styrene 1261.64
    dioctyl adipate 785.25
    dimethyl sulfate 1004.0
    ethyl butyrate 1141.44
    methyl lactate 759.44
    butyl lactate 1016.44
    diethyl carbonate 695.77
    propanediol butyl ether 1386.56
    triethyl orthoformate 736.06
    p-tert-butyltoluene 373.3
    methyl 4-tert-butylbenzoate 943.03
    morpholine 5780.41
    tert-butylamine 1856.05
    n-dodecanol 318.41
    dimethoxymethane 1944.03
    ethylene carbonate 1885.56
    cyrene 954.73
    2-ethoxyethyl acetate 1548.59
    2-ethylhexyl acetate 1263.39
    1,2,4-trichlorobenzene 2173.95
    4-methylpyridine 4733.71
    dibutyl ether 1230.21
    2,6-dimethyl-4-heptanol 501.95
    DEF 2843.32
    dimethyl isosorbide 1556.68
    tetrachloroethylene 4537.57
    eugenol 1023.29
    triacetin 1299.27
    span 80 1101.25
    1,4-butanediol 912.32
    1,1-dichloroethane 4617.06
    2-methyl-1-pentanol 1589.29
    methyl formate 1932.89
    2-methyl-1-butanol 1891.42
    n-decane 129.48
    butyronitrile 3262.58
    3,7-dimethyl-1-octanol 768.13
    1-chlorooctane 579.79
    1-chlorotetradecane 193.92
    n-nonane 140.41
    undecane 86.6
    tert-butylcyclohexane 209.67
    cyclooctane 218.2
    cyclopentanol 2827.53
    tetrahydropyran 5757.21
    tert-amyl methyl ether 1359.9
    2,5,8-trioxanonane 1755.8
    1-hexene 1667.77
    2-isopropoxyethanol 1418.31
    2,2,2-trifluoroethanol 1219.45
    methyl butyrate 2014.18

    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