3-Acetyl-2,5-dimethylthiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2530-10-1

    Molecular formula
    C8H10OS

    SMILES
    CC1=CC(=C(S1)C)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 77.33%
    Nutty 74.68%
    Meaty 66.22%
    Burnt 52.81%
    Hazelnut 47.37%
    Coffee 47.14%
    Caramellic 40.94%
    Musty 39.5%
    Sweet 38.63%
    Earthy 38.01%

     

    Flavor
    Nutty 58.7%
    Roasted 52.3%
    Burnt 46.34%
    Musty 44.47%
    Cocoa 43.84%
    Earthy 43.19%
    Meaty 42.37%
    Sweet 37.41%
    Coffee 36.13%
    Popcorn 33.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.58 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 223.00 to 225.00 °C. @ 760.00 mm Hg

    Flash point

    • 76.13 ˚C est.

  • Synonyms

    • 3-Acetyl-2,5-dimethylthiophene
    • 2530-10-1
    • 1-(2,5-dimethylthiophen-3-yl)ethanone
    • Ethanone, 1-(2,5-dimethyl-3-thienyl)-
    • Dimethylthienylcetone
    • 2,5-Dimethyl-3-thienyl methyl ketone
    • 2,5-Dimethyl-3-acetylthiophene
    • 1-(2,5-Dimethyl-3-thienyl)ethanone
    • 3-Acetyl-2,5-dimethyl thiophene
    • Ketone, 2,5-dimethyl-3-thienyl methyl
    • FEMA No. 3527
    • Dimethylthienylcetone [French]
    • BRN 0112095
    • VDV865T91P
    • EINECS 219-779-5
    • MFCD00009763
    • UNII-VDV865T91P
    • 2,5-Dimethylthiophen-3-yl methyl ketone
    • 1-(2,5-dimethylthiophen-3-yl)ethan-1-one
    • DTXSID40179946
    • 1-(2,5-Dimethyl-thiophen-3-yl)-ethanone
    • 3-ACETYL-2,5-DIMETHYLTHIOPHENE [FHFI]
    • 5-17-09-00444 (Beilstein Handbook Reference)
    • BIDD:GT0071
    • SCHEMBL248005
    • FEMA 3527
    • DTXCID00102437
    • CHEBI:173419
    • STK400196
    • AKOS000120606
    • 1-(2,5-Dimethyl-3-thienyl)-Ethanone
    • 3-Acetyl-2,5-dimethylthiophene, 99%
    • 1-(2,5-Dimethyl-3-thienyl)ethanone #
    • AS-14520
    • SY020864
    • 3-Acetyl-2,5-dimethylthiophene, >=99%
    • DB-020116
    • 1-(2,5-Dimethyl-3-thienyl)ethanone, 9CI
    • 2,5-Dimethyl-3-thienyl methyl ketone, 8CI
    • NS00066796
    • EN300-18743
    • O10254
    • Q27291776
    • Z90122410
    • 219-779-5

  • Applications

    3-Acetyl-2,5-dimethylthiophene (CAS 2530-10-1) is primarily regarded as an aroma ingredient and a synthetic intermediate in perfumery, offering a thiophene-derived scent profile suitable for fragrance formulation. It is also evaluated for cosmetic and personal care applications as a fragrance component, and may serve as an intermediate for the synthesis of more complex aroma molecules or as a building block for specialty polymer materials. In consumer and household contexts, it can be used in scented formulations and fragrance additions for cleaning products, subject to safety assessments and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1064.3
    methanol 1305.9
    isopropanol 823.96
    water 50.67
    ethyl acetate 1133.95
    n-propanol 854.88
    acetone 1470.33
    n-butanol 798.96
    acetonitrile 1359.11
    DMF 1706.77
    toluene 1069.32
    isobutanol 642.18
    1,4-dioxane 2434.12
    methyl acetate 1113.4
    THF 2784.42
    2-butanone 1106.63
    n-pentanol 538.15
    sec-butanol 732.96
    n-hexane 252.73
    ethylene glycol 496.59
    NMP 1355.94
    cyclohexane 346.79
    DMSO 1003.98
    n-butyl acetate 509.29
    n-octanol 454.66
    chloroform 2931.21
    n-propyl acetate 546.61
    acetic acid 817.03
    dichloromethane 2366.36
    cyclohexanone 1478.61
    propylene glycol 421.96
    isopropyl acetate 689.95
    DMAc 1085.18
    2-ethoxyethanol 1042.3
    isopentanol 594.9
    n-heptane 166.96
    ethyl formate 698.53
    1,2-dichloroethane 1411.14
    n-hexanol 748.85
    2-methoxyethanol 1845.13
    isobutyl acetate 359.92
    tetrachloromethane 791.88
    n-pentyl acetate 449.3
    transcutol 1288.8
    n-heptanol 382.25
    ethylbenzene 472.54
    MIBK 642.44
    2-propoxyethanol 1384.47
    tert-butanol 931.59
    MTBE 895.62
    2-butoxyethanol 620.43
    propionic acid 672.65
    o-xylene 550.8
    formic acid 447.3
    diethyl ether 1377.11
    m-xylene 776.55
    p-xylene 524.49
    chlorobenzene 938.93
    dimethyl carbonate 559.88
    n-octane 91.29
    formamide 630.6
    cyclopentanone 1727.85
    2-pentanone 1057.61
    anisole 931.79
    cyclopentyl methyl ether 1571.79
    gamma-butyrolactone 1713.4
    1-methoxy-2-propanol 1341.25
    pyridine 1274.25
    3-pentanone 825.75
    furfural 1334.48
    n-dodecane 74.67
    diethylene glycol 1074.23
    diisopropyl ether 441.37
    tert-amyl alcohol 711.78
    acetylacetone 1113.39
    n-hexadecane 84.81
    acetophenone 624.9
    methyl propionate 950.26
    isopentyl acetate 412.64
    trichloroethylene 2302.56
    n-nonanol 369.1
    cyclohexanol 949.59
    benzyl alcohol 617.51
    2-ethylhexanol 385.74
    isooctanol 291.31
    dipropyl ether 536.0
    1,2-dichlorobenzene 775.6
    ethyl lactate 296.04
    propylene carbonate 793.34
    n-methylformamide 1019.72
    2-pentanol 619.72
    n-pentane 234.36
    1-propoxy-2-propanol 757.17
    1-methoxy-2-propyl acetate 593.45
    2-(2-methoxypropoxy) propanol 420.85
    mesitylene 472.02
    ε-caprolactone 1146.2
    p-cymene 229.5
    epichlorohydrin 2134.35
    1,1,1-trichloroethane 1590.91
    2-aminoethanol 623.32
    morpholine-4-carbaldehyde 1738.21
    sulfolane 1388.82
    2,2,4-trimethylpentane 108.68
    2-methyltetrahydrofuran 1824.5
    n-hexyl acetate 712.81
    isooctane 97.43
    2-(2-butoxyethoxy)ethanol 616.5
    sec-butyl acetate 393.77
    tert-butyl acetate 705.46
    decalin 174.87
    glycerin 659.54
    diglyme 1114.74
    acrylic acid 580.54
    isopropyl myristate 263.36
    n-butyric acid 801.66
    acetyl acetate 676.66
    di(2-ethylhexyl) phthalate 213.91
    ethyl propionate 569.5
    nitromethane 1464.05
    1,2-diethoxyethane 579.35
    benzonitrile 718.89
    trioctyl phosphate 180.71
    1-bromopropane 953.76
    gamma-valerolactone 1957.28
    n-decanol 260.98
    triethyl phosphate 224.89
    4-methyl-2-pentanol 368.94
    propionitrile 902.25
    vinylene carbonate 791.35
    1,1,2-trichlorotrifluoroethane 1081.65
    DMS 513.96
    cumene 298.4
    2-octanol 319.37
    2-hexanone 611.65
    octyl acetate 340.29
    limonene 328.98
    1,2-dimethoxyethane 1371.35
    ethyl orthosilicate 231.83
    tributyl phosphate 199.66
    diacetone alcohol 764.15
    N,N-dimethylaniline 558.66
    acrylonitrile 1017.95
    aniline 850.14
    1,3-propanediol 888.57
    bromobenzene 997.87
    dibromomethane 1685.99
    1,1,2,2-tetrachloroethane 1699.92
    2-methyl-cyclohexyl acetate 334.45
    tetrabutyl urea 250.63
    diisobutyl methanol 220.5
    2-phenylethanol 624.56
    styrene 580.49
    dioctyl adipate 285.09
    dimethyl sulfate 751.73
    ethyl butyrate 398.07
    methyl lactate 508.47
    butyl lactate 291.91
    diethyl carbonate 260.94
    propanediol butyl ether 512.17
    triethyl orthoformate 286.66
    p-tert-butyltoluene 250.37
    methyl 4-tert-butylbenzoate 511.19
    morpholine 2146.6
    tert-butylamine 622.93
    n-dodecanol 203.7
    dimethoxymethane 1626.21
    ethylene carbonate 682.06
    cyrene 490.32
    2-ethoxyethyl acetate 577.81
    2-ethylhexyl acetate 343.75
    1,2,4-trichlorobenzene 842.37
    4-methylpyridine 1411.57
    dibutyl ether 407.14
    2,6-dimethyl-4-heptanol 220.5
    DEF 1019.45
    dimethyl isosorbide 700.54
    tetrachloroethylene 1288.1
    eugenol 493.31
    triacetin 445.26
    span 80 402.14
    1,4-butanediol 408.48
    1,1-dichloroethane 1629.81
    2-methyl-1-pentanol 441.93
    methyl formate 901.63
    2-methyl-1-butanol 619.59
    n-decane 121.13
    butyronitrile 923.09
    3,7-dimethyl-1-octanol 325.5
    1-chlorooctane 375.79
    1-chlorotetradecane 150.9
    n-nonane 128.66
    undecane 90.94
    tert-butylcyclohexane 161.95
    cyclooctane 176.23
    cyclopentanol 938.29
    tetrahydropyran 1832.81
    tert-amyl methyl ether 750.89
    2,5,8-trioxanonane 675.58
    1-hexene 514.33
    2-isopropoxyethanol 678.87
    2,2,2-trifluoroethanol 464.3
    methyl butyrate 631.59

    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