Allyl methyl sulfide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10152-76-8

    Molecular formula
    C4H8S

    SMILES
    CSCC=C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 954.0

  • Odor profile

    Onion 85.56%
    Garlic 84.93%
    Sulfurous 80.82%
    Alliaceous 70.24%
    Pungent 55.16%
    Cooked 47.72%
    Savory 46.97%
    Radish 46.07%
    Cabbage 45.96%
    Vegetable 41.36%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    88.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 92.00 to 93.00 °C. @ 760.00 mm Hg

    Flash point est.
    1.92 ˚C

  • Synonyms

    • Allyl methyl sulfide
    • 10152-76-8
    • 1-Propene, 3-(methylthio)-
    • 3-methylsulfanylprop-1-ene
    • Allyl methyl sulphide
    • 3-(methylthio)-1-propene
    • 3-methylthio-1-propene
    • Sulfide, allyl methyl
    • Methyl allyl sulfide
    • 3-(methylsulfanyl)prop-1-ene
    • CCRIS 7066
    • EINECS 233-422-0
    • UNII-V7QI1R316C
    • Methylallyl sulphide
    • Methyl allyl sulphide
    • V7QI1R316C
    • 3-(Methylthio)propene
    • MFCD00008657
    • Methyl 2-propenyl sulfide
    • CH3SCH2CH=CH2
    • Allyl methyl sulfide, 8CI
    • 3-(Methylsulfanyl)-1-propene
    • DTXSID9064976
    • 3-(Methylthio)-1-propene; Allyl methyl thioether; Methyl 2-propenyl sulfide
    • allyl(methyl)sulfane
    • Allyl methyl sulfide, 98%
    • NCIOpen2_003675
    • 3-(Methylsulphanyl)prop-1-ene
    • DTXCID6032643
    • CHEBI:89856
    • s6204
    • AKOS015852530
    • HY-128447
    • A1117
    • CS-0099196
    • NS00021440
    • D88380
    • EN300-1721010
    • A800399
    • Q2652757
    • Z1137179168

  • Applications

    Allyl methyl sulfide (AMS, CAS 10152-76-8) is a highly odorous, volatile thioether with a characteristic garlic/onion note, used mainly in research and trace-level industrial applications: as a flavor component to impart cooked sulfurous garlic–onion–chive nuances in savory formulations (at very low levels and subject to local regulations); as an analytical reference standard and internal/external spike for GC-MS/GC-O in food, breath, and environmental volatile sulfur compound analysis; as a biomarker of garlic intake in breathomics and metabolic/pharmacokinetic studies; for calibration and challenge testing of VSC sensors, air-sampling hardware, and odor abatement technologies (activated carbon, metal/metal-oxide catalysts, biofilters); as a model substrate to probe oxidation to sulfoxides/sulfones, photochemistry, and atmospheric oxidation mechanisms of organosulfur VOCs; as a synthetic precursor where selective transformations at sulfur (oxidation) or at the allyl moiety provide useful sulfoxide/sulfone derivatives or enable subsequent functionalization; and for sensory-panel training and odor-intensity calibration due to its very low odor threshold; because it is flammable, extremely persistent in odor, and potentially irritating, use requires fume hoods, tight containment, and compliance with applicable flavor and food safety regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 883.82
    methanol 697.63
    isopropanol 551.69
    water 0.47
    ethyl acetate 621.43
    n-propanol 681.58
    acetone 1084.5
    n-butanol 715.19
    acetonitrile 456.42
    DMF 433.6
    toluene 396.12
    isobutanol 413.01
    1,4-dioxane 1164.39
    methyl acetate 462.88
    THF 2124.05
    2-butanone 779.65
    n-pentanol 430.15
    sec-butanol 495.66
    n-hexane 331.93
    ethylene glycol 89.72
    NMP 631.3
    cyclohexane 674.14
    DMSO 799.72
    n-butyl acetate 1438.63
    n-octanol 299.12
    chloroform 914.38
    n-propyl acetate 410.87
    acetic acid 586.49
    dichloromethane 781.3
    cyclohexanone 1323.63
    propylene glycol 126.34
    isopropyl acetate 341.78
    DMAc 295.25
    2-ethoxyethanol 389.71
    isopentanol 458.17
    n-heptane 706.3
    ethyl formate 329.42
    1,2-dichloroethane 547.68
    n-hexanol 994.86
    2-methoxyethanol 584.01
    isobutyl acetate 258.03
    tetrachloromethane 321.41
    n-pentyl acetate 400.0
    transcutol 1363.64
    n-heptanol 334.71
    ethylbenzene 154.87
    MIBK 329.25
    2-propoxyethanol 912.46
    tert-butanol 559.78
    MTBE 544.85
    2-butoxyethanol 400.21
    propionic acid 390.09
    o-xylene 209.78
    formic acid 114.41
    diethyl ether 1015.75
    m-xylene 225.71
    p-xylene 188.26
    chlorobenzene 420.94
    dimethyl carbonate 91.78
    n-octane 146.2
    formamide 138.81
    cyclopentanone 1217.53
    2-pentanone 728.33
    anisole 264.2
    cyclopentyl methyl ether 942.11
    gamma-butyrolactone 869.98
    1-methoxy-2-propanol 432.07
    pyridine 780.82
    3-pentanone 493.37
    furfural 599.88
    n-dodecane 67.57
    diethylene glycol 397.9
    diisopropyl ether 278.72
    tert-amyl alcohol 443.06
    acetylacetone 494.86
    n-hexadecane 76.19
    acetophenone 211.45
    methyl propionate 350.41
    isopentyl acetate 815.14
    trichloroethylene 815.8
    n-nonanol 256.59
    cyclohexanol 729.63
    benzyl alcohol 193.14
    2-ethylhexanol 675.69
    isooctanol 235.12
    dipropyl ether 1136.93
    1,2-dichlorobenzene 298.29
    ethyl lactate 112.37
    propylene carbonate 436.16
    n-methylformamide 262.82
    2-pentanol 463.01
    n-pentane 376.11
    1-propoxy-2-propanol 908.44
    1-methoxy-2-propyl acetate 571.98
    2-(2-methoxypropoxy) propanol 277.95
    mesitylene 148.56
    ε-caprolactone 821.5
    p-cymene 242.54
    epichlorohydrin 788.35
    1,1,1-trichloroethane 617.37
    2-aminoethanol 199.02
    morpholine-4-carbaldehyde 619.31
    sulfolane 820.23
    2,2,4-trimethylpentane 99.33
    2-methyltetrahydrofuran 1599.82
    n-hexyl acetate 441.08
    isooctane 89.71
    2-(2-butoxyethoxy)ethanol 439.08
    sec-butyl acetate 250.86
    tert-butyl acetate 363.4
    decalin 139.89
    glycerin 144.31
    diglyme 737.19
    acrylic acid 254.33
    isopropyl myristate 186.3
    n-butyric acid 645.24
    acetyl acetate 318.87
    di(2-ethylhexyl) phthalate 136.33
    ethyl propionate 272.98
    nitromethane 577.98
    1,2-diethoxyethane 1012.29
    benzonitrile 304.09
    trioctyl phosphate 117.34
    1-bromopropane 680.07
    gamma-valerolactone 1050.6
    n-decanol 193.48
    triethyl phosphate 161.75
    4-methyl-2-pentanol 204.28
    propionitrile 404.44
    vinylene carbonate 331.8
    1,1,2-trichlorotrifluoroethane 400.34
    DMS 198.57
    cumene 101.67
    2-octanol 219.06
    2-hexanone 506.05
    octyl acetate 230.88
    limonene 551.79
    1,2-dimethoxyethane 701.6
    ethyl orthosilicate 188.82
    tributyl phosphate 156.44
    diacetone alcohol 333.42
    N,N-dimethylaniline 151.03
    acrylonitrile 316.09
    aniline 350.73
    1,3-propanediol 335.36
    bromobenzene 431.15
    dibromomethane 718.1
    1,1,2,2-tetrachloroethane 608.67
    2-methyl-cyclohexyl acetate 365.58
    tetrabutyl urea 197.81
    diisobutyl methanol 343.33
    2-phenylethanol 359.18
    styrene 209.44
    dioctyl adipate 219.95
    dimethyl sulfate 123.67
    ethyl butyrate 638.43
    methyl lactate 121.25
    butyl lactate 226.88
    diethyl carbonate 271.4
    propanediol butyl ether 266.78
    triethyl orthoformate 396.55
    p-tert-butyltoluene 220.97
    methyl 4-tert-butylbenzoate 203.07
    morpholine 1240.29
    tert-butylamine 431.09
    n-dodecanol 153.59
    dimethoxymethane 411.52
    ethylene carbonate 325.57
    cyrene 217.38
    2-ethoxyethyl acetate 408.51
    2-ethylhexyl acetate 709.79
    1,2,4-trichlorobenzene 323.46
    4-methylpyridine 659.47
    dibutyl ether 618.82
    2,6-dimethyl-4-heptanol 343.33
    DEF 482.26
    dimethyl isosorbide 514.82
    tetrachloroethylene 494.9
    eugenol 196.81
    triacetin 269.83
    span 80 329.44
    1,4-butanediol 129.04
    1,1-dichloroethane 618.9
    2-methyl-1-pentanol 316.87
    methyl formate 199.62
    2-methyl-1-butanol 450.99
    n-decane 126.33
    butyronitrile 616.73
    3,7-dimethyl-1-octanol 293.85
    1-chlorooctane 273.07
    1-chlorotetradecane 110.62
    n-nonane 149.4
    undecane 87.96
    tert-butylcyclohexane 126.16
    cyclooctane 217.33
    cyclopentanol 664.98
    tetrahydropyran 1908.32
    tert-amyl methyl ether 424.06
    2,5,8-trioxanonane 485.25
    1-hexene 568.65
    2-isopropoxyethanol 276.94
    2,2,2-trifluoroethanol 118.97
    methyl butyrate 370.98

    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
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Garlic 1 8008-99-9 Allium sativum L., fam. Liliaceae 1.05%
Garlic 2 8008-99-9 Allium sativum L., fam. Liliaceae 4.4%
Garlic (China) Allium sativum L., fam. Liliaceae 0.04%
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 0.07%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 5.0%