2,4-Dimethyl-2-pentenoic acid, (2E)-

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  • Identifiers

    CAS number
    3876-52-6

    Molecular formula
    C7H12O2

    SMILES
    CC(C)/C=C(\C)/C(=O)O

  • Odor profile

    Fragrance
    Fruity 86.38%
    Sour 48.51%
    Floral 47.59%
    Cheesy 47.39%
    Sweet 39.96%
    Dry 36.27%
    Caramellic 32.88%
    Woody 32.71%
    Sweaty 32.27%
    Herbal 32.0%

     

    Flavor
    Woody 29.31%
    Herbal 25.22%
    Spicy 23.99%
    Sweet 22.06%
    Dry 21.45%
    Fruity 20.64%
    Berry 20.09%
    Roquefort cheese 19.84%
    Filbert 19.5%
    Light 19.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.2 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 133.00 to 134.00 °C. @ 15.00 mm Hg

    Flash point

    • 91.35 ˚C est.

    Solubility expt.

    • very slightly

  • Synonyms

    • FEMA No. 3143, 2E-
    • (E)-2,4-dimethylpent-2-enoic acid
    • KI18C46DHR
    • 2,4-Dimethyl-2-pentenoic acid, (2E)-
    • (2E)-2,4-dimethyl-2-pentenoic acid
    • UNII-KI18C46DHR
    • (E)-2,4-Dimethyl-2-pentenoic acid
    • 2,4-dimethylpent-2-enoic acid
    • 3876-52-6
    • (2E)-2,4-DIMETHYLPENT-2-ENOIC ACID
    • (E)-2,4-Dimethyl-2-pentenoyl chloride
    • 2-Pentenoic acid, 2,4-dimethyl-, (E)-
    • 2-Pentenoic acid, 2,4-dimethyl-, (2E)-
    • UNII-YSD821326P
    • YSD821326P
    • SCHEMBL21714
    • SCHEMBL21716
    • FEMA 3143
    • DTXSID60192036
    • DMHLGGQHOSTMJG-GQCTYLIASA-N
    • (E)-2,4-dimethylpent-2-enoicacid
    • LMFA01030964
    • AKOS006222120
    • 2,4-Dimethyl-2-pentenoic acid, AldrichCPR
    • CS-0161528
    • Q27282257

  • Applications

    2,4-Dimethyl-2-pentenoic acid, (2E)- (CAS 3876-52-6) is used as a versatile synthetic intermediate across several sectors: as a precursor for fragrance and cosmetic ingredient development; for preparing esters and derivatives in personal care formulations; as a building block for polymers and plastics (monomer or functional modifier for polyesters and acrylics); as a reagent in coatings and inks formulations as a functional intermediate; and as a starting point in the synthesis of pharmaceuticals and agrochemicals in specialized routes. The molecule’s α,β-unsaturation and 2,4-dimethyl substitutions enable access to diverse branched architectures in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 410.88
    methanol 539.17
    isopropanol 413.54
    water 5.73
    ethyl acetate 108.3
    n-propanol 331.96
    acetone 216.1
    n-butanol 297.97
    acetonitrile 122.97
    DMF 318.43
    toluene 59.54
    isobutanol 267.1
    1,4-dioxane 327.03
    methyl acetate 118.42
    THF 545.63
    2-butanone 178.35
    n-pentanol 260.44
    sec-butanol 349.26
    n-hexane 61.32
    ethylene glycol 151.48
    NMP 262.59
    cyclohexane 23.14
    DMSO 258.37
    n-butyl acetate 148.6
    n-octanol 186.67
    chloroform 201.74
    n-propyl acetate 82.46
    acetic acid 142.92
    dichloromethane 150.32
    cyclohexanone 204.77
    propylene glycol 204.09
    isopropyl acetate 92.28
    DMAc 212.34
    2-ethoxyethanol 250.4
    isopentanol 267.82
    n-heptane 27.36
    ethyl formate 92.75
    1,2-dichloroethane 129.44
    n-hexanol 397.65
    2-methoxyethanol 357.16
    isobutyl acetate 74.43
    tetrachloromethane 51.26
    n-pentyl acetate 113.65
    transcutol 356.53
    n-heptanol 194.79
    ethylbenzene 61.11
    MIBK 138.51
    2-propoxyethanol 415.78
    tert-butanol 542.4
    MTBE 307.25
    2-butoxyethanol 236.81
    propionic acid 147.59
    o-xylene 67.01
    formic acid 91.84
    diethyl ether 180.06
    m-xylene 76.59
    p-xylene 70.58
    chlorobenzene 75.02
    dimethyl carbonate 39.26
    n-octane 16.3
    formamide 75.16
    cyclopentanone 276.21
    2-pentanone 161.36
    anisole 116.51
    cyclopentyl methyl ether 209.79
    gamma-butyrolactone 250.74
    1-methoxy-2-propanol 323.9
    pyridine 111.21
    3-pentanone 102.89
    furfural 188.0
    n-dodecane 14.27
    diethylene glycol 279.14
    diisopropyl ether 79.22
    tert-amyl alcohol 436.37
    acetylacetone 132.64
    n-hexadecane 15.49
    acetophenone 91.97
    methyl propionate 96.9
    isopentyl acetate 158.73
    trichloroethylene 197.29
    n-nonanol 151.66
    cyclohexanol 193.45
    benzyl alcohol 108.32
    2-ethylhexanol 185.28
    isooctanol 149.99
    dipropyl ether 116.23
    1,2-dichlorobenzene 77.28
    ethyl lactate 70.78
    propylene carbonate 132.29
    n-methylformamide 150.08
    2-pentanol 250.41
    n-pentane 41.77
    1-propoxy-2-propanol 277.78
    1-methoxy-2-propyl acetate 145.68
    2-(2-methoxypropoxy) propanol 161.11
    mesitylene 58.31
    ε-caprolactone 171.51
    p-cymene 53.0
    epichlorohydrin 255.42
    1,1,1-trichloroethane 129.9
    2-aminoethanol 251.86
    morpholine-4-carbaldehyde 249.87
    sulfolane 309.76
    2,2,4-trimethylpentane 32.32
    2-methyltetrahydrofuran 348.04
    n-hexyl acetate 176.32
    isooctane 29.85
    2-(2-butoxyethoxy)ethanol 231.46
    sec-butyl acetate 74.05
    tert-butyl acetate 144.61
    decalin 26.0
    glycerin 198.01
    diglyme 301.84
    acrylic acid 108.02
    isopropyl myristate 71.12
    n-butyric acid 183.1
    acetyl acetate 53.92
    di(2-ethylhexyl) phthalate 74.04
    ethyl propionate 74.5
    nitromethane 133.94
    1,2-diethoxyethane 139.31
    benzonitrile 96.84
    trioctyl phosphate 67.6
    1-bromopropane 113.07
    gamma-valerolactone 286.13
    n-decanol 116.3
    triethyl phosphate 48.75
    4-methyl-2-pentanol 174.82
    propionitrile 132.38
    vinylene carbonate 102.72
    1,1,2-trichlorotrifluoroethane 176.73
    DMS 75.67
    cumene 57.7
    2-octanol 141.83
    2-hexanone 138.15
    octyl acetate 97.15
    limonene 79.25
    1,2-dimethoxyethane 285.4
    ethyl orthosilicate 54.25
    tributyl phosphate 62.17
    diacetone alcohol 223.91
    N,N-dimethylaniline 100.34
    acrylonitrile 126.39
    aniline 88.81
    1,3-propanediol 271.07
    bromobenzene 65.85
    dibromomethane 124.22
    1,1,2,2-tetrachloroethane 187.38
    2-methyl-cyclohexyl acetate 95.4
    tetrabutyl urea 82.77
    diisobutyl methanol 105.85
    2-phenylethanol 153.75
    styrene 57.65
    dioctyl adipate 80.5
    dimethyl sulfate 74.34
    ethyl butyrate 86.18
    methyl lactate 87.03
    butyl lactate 101.52
    diethyl carbonate 48.98
    propanediol butyl ether 226.1
    triethyl orthoformate 64.82
    p-tert-butyltoluene 58.23
    methyl 4-tert-butylbenzoate 130.44
    morpholine 347.28
    tert-butylamine 339.36
    n-dodecanol 86.57
    dimethoxymethane 193.72
    ethylene carbonate 87.84
    cyrene 144.86
    2-ethoxyethyl acetate 120.03
    2-ethylhexyl acetate 113.98
    1,2,4-trichlorobenzene 86.63
    4-methylpyridine 138.37
    dibutyl ether 94.18
    2,6-dimethyl-4-heptanol 105.85
    DEF 144.65
    dimethyl isosorbide 222.68
    tetrachloroethylene 127.1
    eugenol 144.6
    triacetin 88.26
    span 80 159.95
    1,4-butanediol 165.36
    1,1-dichloroethane 156.84
    2-methyl-1-pentanol 234.15
    methyl formate 102.29
    2-methyl-1-butanol 246.65
    n-decane 23.82
    butyronitrile 160.11
    3,7-dimethyl-1-octanol 156.27
    1-chlorooctane 91.97
    1-chlorotetradecane 36.09
    n-nonane 23.5
    undecane 18.01
    tert-butylcyclohexane 35.91
    cyclooctane 12.96
    cyclopentanol 251.7
    tetrahydropyran 255.8
    tert-amyl methyl ether 222.24
    2,5,8-trioxanonane 215.65
    1-hexene 146.46
    2-isopropoxyethanol 200.53
    2,2,2-trifluoroethanol 54.75
    methyl butyrate 98.78

    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