3-(Butylthio)propionaldehyde

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  • Identifiers

    CAS number
    19378-51-9

    Molecular formula
    C7H14OS

    SMILES
    CCCCSCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 60.09%
    Vegetable 59.25%
    Green 56.71%
    Onion 54.88%
    Garlic 47.23%
    Alliaceous 45.44%
    Meaty 45.02%
    Savory 44.09%
    Cabbage 44.05%
    Fatty 43.07%

     

    Flavor
    Green 69.19%
    Vegetable 45.5%
    Sulfurous 43.08%
    Onion 40.95%
    Garlic 38.34%
    Earthy 37.17%
    Fatty 36.6%
    Metallic 36.52%
    Sulfury 35.25%
    Tomato 34.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.82 (weak acid)

    Molecular weight
    146.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 79.12 ˚C est.

  • Synonyms

    • 3-(Butylthio)propionaldehyde
    • 3-butylsulfanylpropanal
    • 19378-51-9
    • propanal, 3-(butylthio)-
    • 3-(Butylthio)propanal
    • 3-(butylsulfanyl)propanal
    • 3-butylthiopropanal
    • EINECS 243-007-6
    • SSA8U3AC4P
    • beta-(n-butylmercapto)propanal
    • SCHEMBL10774839
    • SCHEMBL11566656
    • DTXSID80172991
    • beta-n-butylmercaptopropionaldehyde
    • AKOS005068172
    • NS00026311
    • 19378-51-9

  • Applications

    3-(Butylthio)propionaldehyde (CAS 19378-51-9) is an aldehyde bearing a thioether group, primarily used as an intermediate in fragrance and flavor chemistry. In the fragrance industry, it serves as a precursor for sulfur-containing aroma compounds, enabling the creation of warm, woody, or distinctive notes. It can also function as a building block in the synthesis of additional thioether-containing derivatives and aldehyde-based fragrance intermediates. In cosmetics and personal care, it may be evaluated as a fragrance ingredient or intermediate for fragrance formulation, subject to local regulations and formulation limits. In general industrial manufacturing, it is used as an intermediate for synthesizing specialty compounds related to fragrance and flavor chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4099.78
    methanol 4515.36
    isopropanol 2954.43
    water 0.28
    ethyl acetate 3507.71
    n-propanol 2801.89
    acetone 9458.92
    n-butanol 2543.62
    acetonitrile 3550.09
    DMF 4906.71
    toluene 1475.19
    isobutanol 1864.04
    1,4-dioxane 3916.57
    methyl acetate 2630.77
    THF 6821.56
    2-butanone 4567.42
    n-pentanol 1536.59
    sec-butanol 1902.15
    n-hexane 330.59
    ethylene glycol 488.63
    NMP 3178.62
    cyclohexane 641.89
    DMSO 9142.5
    n-butyl acetate 3066.9
    n-octanol 598.83
    chloroform 4623.46
    n-propyl acetate 2264.83
    acetic acid 2942.65
    dichloromethane 5185.74
    cyclohexanone 6502.04
    propylene glycol 781.35
    isopropyl acetate 1764.01
    DMAc 1962.96
    2-ethoxyethanol 1935.56
    isopentanol 1857.2
    n-heptane 256.25
    ethyl formate 1993.68
    1,2-dichloroethane 4002.13
    n-hexanol 1793.28
    2-methoxyethanol 3436.84
    isobutyl acetate 1123.64
    tetrachloromethane 909.74
    n-pentyl acetate 1359.45
    transcutol 6855.72
    n-heptanol 567.75
    ethylbenzene 586.04
    MIBK 1662.14
    2-propoxyethanol 2374.25
    tert-butanol 2742.37
    MTBE 2174.93
    2-butoxyethanol 1120.88
    propionic acid 2215.23
    o-xylene 704.53
    formic acid 636.03
    diethyl ether 2829.22
    m-xylene 885.66
    p-xylene 778.01
    chlorobenzene 2001.97
    dimethyl carbonate 557.55
    n-octane 80.94
    formamide 1194.05
    cyclopentanone 6602.21
    2-pentanone 4009.53
    anisole 1159.61
    cyclopentyl methyl ether 3069.3
    gamma-butyrolactone 5239.0
    1-methoxy-2-propanol 2465.38
    pyridine 4421.87
    3-pentanone 2100.34
    furfural 4034.02
    n-dodecane 47.8
    diethylene glycol 1442.28
    diisopropyl ether 644.59
    tert-amyl alcohol 1775.57
    acetylacetone 3487.36
    n-hexadecane 57.63
    acetophenone 1129.12
    methyl propionate 2021.23
    isopentyl acetate 2081.19
    trichloroethylene 6977.19
    n-nonanol 475.57
    cyclohexanol 2451.39
    benzyl alcohol 1062.72
    2-ethylhexanol 1010.78
    isooctanol 456.61
    dipropyl ether 1462.32
    1,2-dichlorobenzene 1433.72
    ethyl lactate 567.56
    propylene carbonate 2251.07
    n-methylformamide 2805.44
    2-pentanol 1505.56
    n-pentane 258.33
    1-propoxy-2-propanol 2106.78
    1-methoxy-2-propyl acetate 1887.24
    2-(2-methoxypropoxy) propanol 870.63
    mesitylene 494.32
    ε-caprolactone 3813.11
    p-cymene 406.02
    epichlorohydrin 5090.78
    1,1,1-trichloroethane 3836.34
    2-aminoethanol 1158.32
    morpholine-4-carbaldehyde 3224.35
    sulfolane 5816.53
    2,2,4-trimethylpentane 98.9
    2-methyltetrahydrofuran 5037.87
    n-hexyl acetate 1508.07
    isooctane 92.21
    2-(2-butoxyethoxy)ethanol 1357.36
    sec-butyl acetate 1193.56
    tert-butyl acetate 1756.19
    decalin 201.56
    glycerin 893.89
    diglyme 2880.61
    acrylic acid 1665.81
    isopropyl myristate 453.37
    n-butyric acid 3580.15
    acetyl acetate 1540.83
    di(2-ethylhexyl) phthalate 379.8
    ethyl propionate 1434.72
    nitromethane 5276.13
    1,2-diethoxyethane 2596.43
    benzonitrile 1957.93
    trioctyl phosphate 304.82
    1-bromopropane 2273.51
    gamma-valerolactone 6321.36
    n-decanol 331.91
    triethyl phosphate 450.58
    4-methyl-2-pentanol 686.85
    propionitrile 2400.26
    vinylene carbonate 2019.0
    1,1,2-trichlorotrifluoroethane 2822.02
    DMS 937.96
    cumene 337.17
    2-octanol 444.89
    2-hexanone 2499.4
    octyl acetate 555.44
    limonene 780.24
    1,2-dimethoxyethane 3307.18
    ethyl orthosilicate 472.94
    tributyl phosphate 446.26
    diacetone alcohol 1846.93
    N,N-dimethylaniline 626.3
    acrylonitrile 3080.31
    aniline 1725.75
    1,3-propanediol 1729.46
    bromobenzene 2134.62
    dibromomethane 3628.16
    1,1,2,2-tetrachloroethane 4581.54
    2-methyl-cyclohexyl acetate 920.38
    tetrabutyl urea 579.63
    diisobutyl methanol 584.8
    2-phenylethanol 1102.51
    styrene 929.32
    dioctyl adipate 693.69
    dimethyl sulfate 924.29
    ethyl butyrate 1596.85
    methyl lactate 749.21
    butyl lactate 889.03
    diethyl carbonate 769.24
    propanediol butyl ether 1102.19
    triethyl orthoformate 904.47
    p-tert-butyltoluene 388.86
    methyl 4-tert-butylbenzoate 712.96
    morpholine 5177.84
    tert-butylamine 1598.09
    n-dodecanol 241.16
    dimethoxymethane 2185.03
    ethylene carbonate 1745.14
    cyrene 775.58
    2-ethoxyethyl acetate 1632.93
    2-ethylhexyl acetate 1550.25
    1,2,4-trichlorobenzene 1614.98
    4-methylpyridine 4084.63
    dibutyl ether 1197.16
    2,6-dimethyl-4-heptanol 584.8
    DEF 2888.26
    dimethyl isosorbide 1574.03
    tetrachloroethylene 3220.96
    eugenol 751.48
    triacetin 1084.01
    span 80 895.18
    1,4-butanediol 652.2
    1,1-dichloroethane 4318.91
    2-methyl-1-pentanol 1124.89
    methyl formate 1708.61
    2-methyl-1-butanol 1573.74
    n-decane 97.79
    butyronitrile 3123.35
    3,7-dimethyl-1-octanol 645.69
    1-chlorooctane 458.36
    1-chlorotetradecane 145.72
    n-nonane 110.34
    undecane 64.7
    tert-butylcyclohexane 172.85
    cyclooctane 176.97
    cyclopentanol 2516.05
    tetrahydropyran 5646.63
    tert-amyl methyl ether 1294.64
    2,5,8-trioxanonane 1577.38
    1-hexene 1270.98
    2-isopropoxyethanol 1267.4
    2,2,2-trifluoroethanol 629.06
    methyl butyrate 2312.97

    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