Acetic acid, 2-(methylthio)-, butyl ester

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  • Identifiers

    CAS number
    67746-25-2

    Molecular formula
    C7H14O2S

    SMILES
    CCCCOC(=O)CSC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.99%
    Tropical 76.03%
    Sulfurous 75.67%
    Green 64.2%
    Pineapple 49.31%
    Cheesy 49.09%
    Vegetable 47.05%
    Sweet 43.0%
    Onion 40.83%
    Meaty 32.91%

     

    Flavor
    Fruity 80.37%
    Green 49.6%
    Vegetable 48.51%
    Fatty 46.36%
    Earthy 45.44%
    Spicy 44.11%
    Pineapple 43.99%
    Sulfury 43.49%
    Floral 40.33%
    Tropical 39.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.25 (neutral)

    Molecular weight
    162.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 72.96 ˚C est.

  • Synonyms

    • Acetic acid, 2-(methylthio)-, butyl ester
    • EINECS 266-987-7
    • RefChem:552117
    • Butyl (methylthio)acetate
    • n-Butyl 2-methylthioacetate
    • Acetic acid, (methylthio)-, butyl ester
    • 67746-25-2
    • butyl (methylsulfanyl)acetate
    • butyl 2-methylsulfanylacetate
    • (Methylthio)acetic acid butyl ester
    • BUTYL 2-(METHYLSULFANYL)ACETATE
    • Butyl 2-(methylthio)acetate
    • DTXSID5070577
    • SCHEMBL12056720
    • CHEBI:156077
    • QXJSYAFLDDZIQI-UHFFFAOYSA-N
    • QN58WY5942
    • AKOS009165286
    • NS00036171
    • 67746-25-2

  • Applications

    Acetic acid, 2-(methylthio)-, butyl ester (CAS 67746-25-2) is primarily used as a fragrance-related ester and as an intermediate in specialty synthesis. In perfumery, it contributes sulfur-containing notes and may act as a fixative or aroma precursor; in flavor applications, it can serve as a fragrance or flavor component. In cosmetics and personal care, it is used as a fragrance ingredient; in household products, as a scent additive. In industrial manufacturing, it serves as an intermediate for sulfur-containing esters used in specialty polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2163.11
    methanol 2667.16
    isopropanol 1700.78
    water 2.82
    ethyl acetate 753.09
    n-propanol 1499.57
    acetone 2409.73
    n-butanol 1250.38
    acetonitrile 1252.53
    DMF 2401.83
    toluene 389.14
    isobutanol 1094.38
    1,4-dioxane 1731.53
    methyl acetate 805.78
    THF 2501.44
    2-butanone 1203.67
    n-pentanol 883.19
    sec-butanol 1205.64
    n-hexane 168.23
    ethylene glycol 492.72
    NMP 1964.52
    cyclohexane 439.96
    DMSO 2858.11
    n-butyl acetate 726.85
    n-octanol 477.77
    chloroform 3288.76
    n-propyl acetate 586.19
    acetic acid 3196.75
    dichloromethane 2336.78
    cyclohexanone 2371.33
    propylene glycol 689.79
    isopropyl acetate 446.53
    DMAc 1235.63
    2-ethoxyethanol 860.16
    isopentanol 853.76
    n-heptane 105.97
    ethyl formate 691.59
    1,2-dichloroethane 1487.74
    n-hexanol 825.03
    2-methoxyethanol 1686.75
    isobutyl acetate 374.66
    tetrachloromethane 350.71
    n-pentyl acetate 505.58
    transcutol 2547.52
    n-heptanol 365.51
    ethylbenzene 248.5
    MIBK 461.77
    2-propoxyethanol 960.87
    tert-butanol 1492.44
    MTBE 692.11
    2-butoxyethanol 578.98
    propionic acid 1349.13
    o-xylene 271.95
    formic acid 755.71
    diethyl ether 709.76
    m-xylene 266.74
    p-xylene 383.76
    chlorobenzene 886.63
    dimethyl carbonate 233.4
    n-octane 48.08
    formamide 796.08
    cyclopentanone 2293.88
    2-pentanone 938.85
    anisole 495.31
    cyclopentyl methyl ether 993.35
    gamma-butyrolactone 2227.5
    1-methoxy-2-propanol 1195.02
    pyridine 1722.81
    3-pentanone 595.03
    furfural 1818.53
    n-dodecane 38.66
    diethylene glycol 788.15
    diisopropyl ether 175.15
    tert-amyl alcohol 999.12
    acetylacetone 917.29
    n-hexadecane 44.54
    acetophenone 588.19
    methyl propionate 591.61
    isopentyl acetate 598.99
    trichloroethylene 3095.49
    n-nonanol 386.37
    cyclohexanol 1467.91
    benzyl alcohol 606.45
    2-ethylhexanol 456.66
    isooctanol 294.07
    dipropyl ether 389.53
    1,2-dichlorobenzene 735.84
    ethyl lactate 289.47
    propylene carbonate 1070.92
    n-methylformamide 1203.16
    2-pentanol 778.29
    n-pentane 133.49
    1-propoxy-2-propanol 772.89
    1-methoxy-2-propyl acetate 536.5
    2-(2-methoxypropoxy) propanol 508.61
    mesitylene 179.72
    ε-caprolactone 1539.54
    p-cymene 179.05
    epichlorohydrin 1843.1
    1,1,1-trichloroethane 1365.83
    2-aminoethanol 905.16
    morpholine-4-carbaldehyde 1596.84
    sulfolane 2619.71
    2,2,4-trimethylpentane 51.52
    2-methyltetrahydrofuran 1660.21
    n-hexyl acetate 771.84
    isooctane 41.1
    2-(2-butoxyethoxy)ethanol 784.07
    sec-butyl acetate 336.33
    tert-butyl acetate 493.88
    decalin 112.43
    glycerin 790.43
    diglyme 1344.33
    acrylic acid 1322.79
    isopropyl myristate 258.7
    n-butyric acid 1737.53
    acetyl acetate 534.26
    di(2-ethylhexyl) phthalate 256.67
    ethyl propionate 401.8
    nitromethane 2743.14
    1,2-diethoxyethane 639.09
    benzonitrile 973.64
    trioctyl phosphate 202.73
    1-bromopropane 802.92
    gamma-valerolactone 2297.78
    n-decanol 264.65
    triethyl phosphate 206.93
    4-methyl-2-pentanol 345.67
    propionitrile 905.16
    vinylene carbonate 1050.26
    1,1,2-trichlorotrifluoroethane 1601.26
    DMS 445.38
    cumene 176.31
    2-octanol 306.09
    2-hexanone 741.17
    octyl acetate 350.89
    limonene 312.53
    1,2-dimethoxyethane 1378.91
    ethyl orthosilicate 197.25
    tributyl phosphate 250.14
    diacetone alcohol 664.79
    N,N-dimethylaniline 360.81
    acrylonitrile 1157.46
    aniline 720.51
    1,3-propanediol 1121.08
    bromobenzene 851.06
    dibromomethane 1704.44
    1,1,2,2-tetrachloroethane 2484.01
    2-methyl-cyclohexyl acetate 415.56
    tetrabutyl urea 341.45
    diisobutyl methanol 245.74
    2-phenylethanol 537.39
    styrene 375.75
    dioctyl adipate 403.53
    dimethyl sulfate 409.55
    ethyl butyrate 429.59
    methyl lactate 384.21
    butyl lactate 455.23
    diethyl carbonate 284.42
    propanediol butyl ether 775.66
    triethyl orthoformate 298.61
    p-tert-butyltoluene 167.77
    methyl 4-tert-butylbenzoate 461.12
    morpholine 2205.47
    tert-butylamine 871.03
    n-dodecanol 196.32
    dimethoxymethane 756.36
    ethylene carbonate 833.84
    cyrene 515.95
    2-ethoxyethyl acetate 542.64
    2-ethylhexyl acetate 442.61
    1,2,4-trichlorobenzene 900.9
    4-methylpyridine 1429.5
    dibutyl ether 481.23
    2,6-dimethyl-4-heptanol 245.74
    DEF 919.62
    dimethyl isosorbide 780.14
    tetrachloroethylene 1722.31
    eugenol 501.55
    triacetin 624.95
    span 80 634.14
    1,4-butanediol 471.09
    1,1-dichloroethane 1585.68
    2-methyl-1-pentanol 638.64
    methyl formate 809.51
    2-methyl-1-butanol 797.36
    n-decane 71.68
    butyronitrile 1064.58
    3,7-dimethyl-1-octanol 402.45
    1-chlorooctane 302.49
    1-chlorotetradecane 105.65
    n-nonane 75.5
    undecane 50.28
    tert-butylcyclohexane 92.46
    cyclooctane 90.32
    cyclopentanol 1570.21
    tetrahydropyran 2113.18
    tert-amyl methyl ether 460.35
    2,5,8-trioxanonane 890.47
    1-hexene 541.7
    2-isopropoxyethanol 575.8
    2,2,2-trifluoroethanol 652.53
    methyl butyrate 683.18

    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