Methional

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  • Identifiers

    CAS number
    3268-49-3

    Molecular formula
    C4H8OS

    SMILES
    CSCCC=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 908.0
    • Carbowax: 1450.0

  • Odor profile

    Sulfurous 70.86%
    Vegetable 68.4%
    Onion 67.08%
    Garlic 65.14%
    Cabbage 63.95%
    Potato 58.18%
    Cheesy 54.69%
    Alliaceous 54.59%
    Tomato 52.61%
    Pungent 52.44%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.00008 [mmHg]

  • Properties

    XLogP3-AA
    0.3

    Molecular weight
    104.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -75 °C

    Boiling point

    • BP: 62 °C at 11 mm Hg
    • 165 °C

    Flash point est.
    50.28 ˚C

    Flash point expt.

    • 142 °F (NFPA, 2010)
    • 142 °F (61 °C) (closed cup)
    • 58-63 °C

    Solubility expt.

    • In water, 16.3% vol at 25 °C, pH 7
    • Solubility in water, g/100ml at 37.8 °C: 17.5
    • insoluble in water; soluble in alcohol, propylene glycol and oil
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • 3-(Methylthio)propionaldehyde
    • Methional
    • 3268-49-3
    • 3-(METHYLTHIO)PROPANAL
    • Propanal, 3-(methylthio)-
    • 3-methylsulfanylpropanal
    • 4-Thiapentanal
    • 3-(Methylsulfanyl)propanal
    • 3-methylthiopropanal
    • 3-(Methylmercapto)propionaldehyde
    • Propionaldehyde, 3-(methylthio)-
    • 3-Methylmercaptopropyl aldehyde
    • Methylmercaptopropionic aldehyde
    • Methional (natural)
    • beta-(Methylthio)propionaldehyde
    • 3-Methylthiopropional
    • methylmercaptopropionaldehyde
    • beta-(Methylmercapto)propionaldehyde
    • 3-methylthiopropionaldehyde
    • NSC 15874
    • FEMA No. 2747
    • 3-methylsulfanyl-propanal
    • 3-methylthio-propionaldehyde
    • EINECS 221-882-5
    • 0AAO8V0F1R
    • UN2785
    • .beta.-(Methylmercapto)propionaldehyde
    • 3-[Methylthio]propionaldehyde
    • BRN 1739289
    • CCRIS 8434
    • 3-methylmercapto-propionaldehyde
    • 3-Methyl-thiopropanal
    • DTXSID9027528
    • CHEBI:49017
    • AI3-36656
    • 3-(Methythio)-propanal
    • 3-(methylthio)-propanal
    • NSC-15874
    • 3-(methylthio)-propionaldehyde
    • DTXCID507528
    • 3-methylsulfanyl-propionaldehyde
    • HSDB 8499
    • EC 221-882-5
    • .beta.-(Methylthio)propionaldehyde
    • 3-METHYLTHIOPROPIONALDEHYDE [FCC]
    • 3-(METHYLTHIO) PROPIONALDEHYDE [FHFI]
    • C4H8OS
    • CAS-3268-49-3
    • UNII-0AAO8V0F1R
    • 4Thiapentanal
    • Thia4pentanal
    • Methylmercaptoaldehyde
    • MFCD00007022
    • THIAPENTANAL
    • 3(Methylthio)propanal
    • 4-Thiapentanal [UN2785] [Poison]
    • 3-(Methylthiol)propanal
    • 3-methylthio-1-propanal
    • Propanal, 3(methylthio)
    • 3-(Methylthio)-1-propanal
    • 3-(methythio)propionaldehyde
    • 3-(methylthio)propan-1-one
    • Methional, >=97%, FG
    • SCHEMBL40685
    • 3Methylmercaptopropyl aldehyde
    • 3-(Methylsulfanyl)propanal #
    • beta(Methylthio)propionaldehyde
    • 3-(methylthio) propionaldehyde
    • 3-methylsulphanylpropionaldehyde
    • Propionaldehyde, 3(methylthio)
    • CHEMBL333298
    • 3(Methylmercapto)propionaldehyde
    • Methional, natural, 98%, FG
    • beta -(methylthio)propionaldehyde
    • FEMA 2747
    • beta-(Methylthio) propionaldehyde
    • beta(Methylmercapto)propionaldehyde
    • beta(Methylthio)propionic aldehyde
    • NSC15874
    • 3-(Methylthio)propanal (Methional)
    • 3-(Methylthio)propionaldehyde, 8CI
    • METHYL MERCAPTOPROPIONALDEHYDE
    • Tox21_201978
    • Tox21_303157
    • beta -(methylmercapto)propionaldehyde
    • beta-(Methylmercapto) propionaldehyde
    • AKOS000119355
    • FM35573
    • UN 2785
    • 4-Thiapentanal [UN2785] [Poison]
    • NCGC00091800-01
    • NCGC00091800-02
    • NCGC00257223-01
    • NCGC00259527-01
    • 3-(methylthio)propionaldehyde (methional)
    • MS-20669
    • BETA-(METHYLTHIO)PROPIONIC ALDEHYDE
    • DB-003340
    • M0951
    • NS00006695
    • EN300-20267
    • A10691
    • Q2191936
    • 3-(Methylmercapto)propionaldehyde, 3-(Methylthio)propanal
    • 3-(Methylthio)propionaldehyde, analytical reference material
    • 221-882-5
    • 3-(Methylthio)-propanal; 3-Methylsulfanylpropionaldehyde; 3-Methylthio-1-propanal; 3-(Methylthio)propionaldehyde; ss-(Methylthio)propionic aldehyde

  • Applications

    Methional (CAS 3268-49-3), chemically 3-(methylthio)propanal, carries the characteristic cooked-potato note and is widely employed by the flavor and fragrance industry to recreate potato, cereal, roasted meat, caramelized onion, roasted coffee and other savory profiles in instant soups, snacks, sauces and seasonings; approved at trace levels by FEMA, the EU and JECFA as a natural/nature-identical flavor, Methional is also used as a calibration standard in sensory science, Maillard reaction studies and thermal aroma formation investigations, while serving as a key precursor in the manufacture of DL-methionine for animal feed, an intermediate for sophisticated sulfur compounds and a freshness/quality marker in vegetable juices; its high volatility combined with a very low odor threshold makes Methional an indispensable tool for food formulators, cosmetic perfumers and researchers exploring the chemistry of taste and aroma.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.71
    methanol 523.19
    isopropanol 177.25
    water 5.6
    ethyl acetate 163.53
    n-propanol 209.18
    acetone 332.91
    n-butanol 180.64
    acetonitrile 216.52
    DMF 518.29
    toluene 98.11
    isobutanol 123.15
    1,4-dioxane 374.5
    methyl acetate 181.64
    THF 363.57
    2-butanone 199.01
    n-pentanol 122.64
    sec-butanol 127.18
    n-hexane 14.35
    ethylene glycol 163.79
    NMP 376.64
    cyclohexane 33.88
    DMSO 586.04
    n-butyl acetate 187.37
    n-octanol 81.39
    chloroform 505.51
    n-propyl acetate 121.1
    acetic acid 408.65
    dichloromethane 386.03
    cyclohexanone 360.63
    propylene glycol 140.16
    isopropyl acetate 85.11
    DMAc 258.4
    2-ethoxyethanol 212.36
    isopentanol 123.19
    n-heptane 22.86
    ethyl formate 173.41
    1,2-dichloroethane 236.97
    n-hexanol 169.28
    2-methoxyethanol 435.15
    isobutyl acetate 76.87
    tetrachloromethane 95.41
    n-pentyl acetate 106.25
    transcutol 830.4
    n-heptanol 78.09
    ethylbenzene 45.43
    MIBK 84.57
    2-propoxyethanol 278.87
    tert-butanol 165.65
    MTBE 81.05
    2-butoxyethanol 169.01
    propionic acid 234.57
    o-xylene 68.08
    formic acid 234.33
    diethyl ether 102.08
    m-xylene 69.02
    p-xylene 66.47
    chlorobenzene 186.1
    dimethyl carbonate 56.96
    n-octane 8.17
    formamide 251.35
    cyclopentanone 373.65
    2-pentanone 156.27
    anisole 121.41
    cyclopentyl methyl ether 147.5
    gamma-butyrolactone 404.26
    1-methoxy-2-propanol 237.3
    pyridine 373.18
    3-pentanone 101.85
    furfural 482.42
    n-dodecane 7.58
    diethylene glycol 284.56
    diisopropyl ether 28.25
    tert-amyl alcohol 114.01
    acetylacetone 205.99
    n-hexadecane 8.46
    acetophenone 131.17
    methyl propionate 123.7
    isopentyl acetate 140.78
    trichloroethylene 539.96
    n-nonanol 70.71
    cyclohexanol 160.31
    benzyl alcohol 129.94
    2-ethylhexanol 97.88
    isooctanol 60.11
    dipropyl ether 97.33
    1,2-dichlorobenzene 167.2
    ethyl lactate 75.59
    propylene carbonate 204.91
    n-methylformamide 319.97
    2-pentanol 94.38
    n-pentane 13.65
    1-propoxy-2-propanol 210.34
    1-methoxy-2-propyl acetate 162.2
    2-(2-methoxypropoxy) propanol 171.28
    mesitylene 45.87
    ε-caprolactone 273.9
    p-cymene 48.79
    epichlorohydrin 338.96
    1,1,1-trichloroethane 227.92
    2-aminoethanol 228.94
    morpholine-4-carbaldehyde 443.71
    sulfolane 440.27
    2,2,4-trimethylpentane 7.48
    2-methyltetrahydrofuran 242.4
    n-hexyl acetate 129.64
    isooctane 6.74
    2-(2-butoxyethoxy)ethanol 239.85
    sec-butyl acetate 67.92
    tert-butyl acetate 91.44
    decalin 15.39
    glycerin 209.42
    diglyme 431.2
    acrylic acid 243.91
    isopropyl myristate 53.68
    n-butyric acid 281.33
    acetyl acetate 120.84
    di(2-ethylhexyl) phthalate 67.86
    ethyl propionate 85.67
    nitromethane 529.13
    1,2-diethoxyethane 207.84
    benzonitrile 215.79
    trioctyl phosphate 50.06
    1-bromopropane 115.05
    gamma-valerolactone 502.19
    n-decanol 52.46
    triethyl phosphate 58.5
    4-methyl-2-pentanol 52.45
    propionitrile 170.14
    vinylene carbonate 242.51
    1,1,2-trichlorotrifluoroethane 344.84
    DMS 114.91
    cumene 35.63
    2-octanol 52.09
    2-hexanone 128.57
    octyl acetate 69.78
    limonene 69.83
    1,2-dimethoxyethane 296.26
    ethyl orthosilicate 59.0
    tributyl phosphate 62.91
    diacetone alcohol 141.96
    N,N-dimethylaniline 80.09
    acrylonitrile 262.58
    aniline 157.38
    1,3-propanediol 261.08
    bromobenzene 164.11
    dibromomethane 250.99
    1,1,2,2-tetrachloroethane 365.87
    2-methyl-cyclohexyl acetate 94.59
    tetrabutyl urea 87.43
    diisobutyl methanol 57.22
    2-phenylethanol 146.81
    styrene 71.03
    dioctyl adipate 92.16
    dimethyl sulfate 106.33
    ethyl butyrate 122.79
    methyl lactate 105.96
    butyl lactate 109.5
    diethyl carbonate 80.57
    propanediol butyl ether 186.5
    triethyl orthoformate 88.48
    p-tert-butyltoluene 46.25
    methyl 4-tert-butylbenzoate 118.23
    morpholine 389.04
    tert-butylamine 102.98
    n-dodecanol 41.13
    dimethoxymethane 180.33
    ethylene carbonate 175.74
    cyrene 145.19
    2-ethoxyethyl acetate 157.71
    2-ethylhexyl acetate 108.4
    1,2,4-trichlorobenzene 194.16
    4-methylpyridine 300.21
    dibutyl ether 81.97
    2,6-dimethyl-4-heptanol 57.22
    DEF 191.52
    dimethyl isosorbide 241.7
    tetrachloroethylene 318.33
    eugenol 144.05
    triacetin 148.94
    span 80 169.93
    1,4-butanediol 103.36
    1,1-dichloroethane 217.37
    2-methyl-1-pentanol 90.02
    methyl formate 217.4
    2-methyl-1-butanol 105.92
    n-decane 11.98
    butyronitrile 173.91
    3,7-dimethyl-1-octanol 79.28
    1-chlorooctane 46.46
    1-chlorotetradecane 21.0
    n-nonane 11.42
    undecane 9.08
    tert-butylcyclohexane 14.86
    cyclooctane 11.11
    cyclopentanol 183.86
    tetrahydropyran 276.17
    tert-amyl methyl ether 63.25
    2,5,8-trioxanonane 308.23
    1-hexene 53.21
    2-isopropoxyethanol 133.6
    2,2,2-trifluoroethanol 140.66
    methyl butyrate 133.92

    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
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 0.1%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%