1,2-Dimethylpropyl acetate

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  • Identifiers

    CAS number
    5343-96-4

    Molecular formula
    C7H14O2

    SMILES
    CC(C)C(C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 96.48%
    Sweet 63.81%
    Banana 59.03%
    Ethereal 57.29%
    Apple 50.19%
    Fresh 42.41%
    Pear 40.7%
    Pineapple 35.16%
    Rummy 34.72%
    Berry 32.92%

     

    Flavor
    Fruity 64.61%
    Sweet 57.23%
    Herbal 47.06%
    Tropical 43.26%
    Banana 43.03%
    Fruit 35.04%
    Ethereal 34.98%
    Green 33.06%
    Lavender 31.08%
    Bitter 30.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.85 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    128°C

    Flash point

    • 35.7 ˚C est.

  • Synonyms

    • 1,2-Dimethylpropyl acetate
    • 5343-96-4
    • 1,2-Dimethylpropyl ethanoate
    • 2-Butanol, 3-methyl-, acetate
    • 3-Methyl-2-butyl acetate
    • DTXSID00277038
    • CH3C(O)OCH(CH3)CH(CH3)2
    • Acetic acid, 1,2-dimethylpropyl ester
    • RefChem:71988
    • DTXCID70228198
    • ZLSXRPTWWRGMTJ-UHFFFAOYSA-N
    • 3-methylbutan-2-yl acetate
    • NSC-518
    • methyl isopropyl acetate
    • HSE9GN8DUE
    • SCHEMBL632271
    • NSC518
    • SCHEMBL7953355
    • 2-Butanol, 3-methyl-, 2-acetate
    • acetic acid 3-methyl-but-2-yl ester
    • NS00127251
    • 5343-96-4

  • Applications

    1,2-Dimethylpropyl acetate (CAS 5343-96-4) is commonly used as a solvent in industrial coatings and printing inks, and also serves as a fragrance-related ingredient or carrier in perfumery applications; it may be present in cosmetics and personal care products as a solvent or formulation component. In polymer and plastics processing, it can act as a processing solvent or plasticizer, and may serve as an intermediate in fragrance chemistry or other organic syntheses. It is also found in some household cleaning formulations as a solvent or odor carrier. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 899.12
    methanol 1261.9
    isopropanol 1062.17
    water 20.25
    ethyl acetate 385.1
    n-propanol 869.79
    acetone 645.45
    n-butanol 752.92
    acetonitrile 550.59
    DMF 842.45
    toluene 227.9
    isobutanol 753.33
    1,4-dioxane 783.73
    methyl acetate 488.26
    THF 901.61
    2-butanone 585.32
    n-pentanol 498.77
    sec-butanol 1011.93
    n-hexane 177.72
    ethylene glycol 322.91
    NMP 787.74
    cyclohexane 119.9
    DMSO 576.95
    n-butyl acetate 275.97
    n-octanol 394.77
    chloroform 1446.57
    n-propyl acetate 202.47
    acetic acid 619.95
    dichloromethane 989.25
    cyclohexanone 679.52
    propylene glycol 556.65
    isopropyl acetate 268.52
    DMAc 904.87
    2-ethoxyethanol 505.98
    isopentanol 619.16
    n-heptane 69.03
    ethyl formate 297.27
    1,2-dichloroethane 498.2
    n-hexanol 618.01
    2-methoxyethanol 917.44
    isobutyl acetate 172.38
    tetrachloromethane 301.47
    n-pentyl acetate 249.31
    transcutol 847.44
    n-heptanol 295.28
    ethylbenzene 174.57
    MIBK 305.91
    2-propoxyethanol 691.03
    tert-butanol 1228.94
    MTBE 749.71
    2-butoxyethanol 373.97
    propionic acid 617.6
    o-xylene 221.14
    formic acid 257.0
    diethyl ether 485.14
    m-xylene 206.25
    p-xylene 244.27
    chlorobenzene 303.32
    dimethyl carbonate 125.12
    n-octane 43.02
    formamide 200.98
    cyclopentanone 721.75
    2-pentanone 407.74
    anisole 305.77
    cyclopentyl methyl ether 478.54
    gamma-butyrolactone 701.45
    1-methoxy-2-propanol 747.74
    pyridine 440.7
    3-pentanone 324.23
    furfural 612.7
    n-dodecane 39.69
    diethylene glycol 526.52
    diisopropyl ether 178.3
    tert-amyl alcohol 1082.88
    acetylacetone 420.05
    n-hexadecane 43.06
    acetophenone 275.74
    methyl propionate 329.06
    isopentyl acetate 297.54
    trichloroethylene 899.07
    n-nonanol 305.04
    cyclohexanol 619.58
    benzyl alcohol 309.82
    2-ethylhexanol 307.96
    isooctanol 229.48
    dipropyl ether 207.06
    1,2-dichlorobenzene 298.43
    ethyl lactate 175.81
    propylene carbonate 418.71
    n-methylformamide 404.37
    2-pentanol 572.81
    n-pentane 133.69
    1-propoxy-2-propanol 469.86
    1-methoxy-2-propyl acetate 296.25
    2-(2-methoxypropoxy) propanol 338.18
    mesitylene 141.65
    ε-caprolactone 565.83
    p-cymene 126.76
    epichlorohydrin 654.22
    1,1,1-trichloroethane 689.68
    2-aminoethanol 560.39
    morpholine-4-carbaldehyde 722.9
    sulfolane 871.9
    2,2,4-trimethylpentane 86.64
    2-methyltetrahydrofuran 815.57
    n-hexyl acetate 465.57
    isooctane 55.31
    2-(2-butoxyethoxy)ethanol 408.0
    sec-butyl acetate 186.38
    tert-butyl acetate 331.64
    decalin 86.04
    glycerin 525.77
    diglyme 599.83
    acrylic acid 468.22
    isopropyl myristate 166.58
    n-butyric acid 602.55
    acetyl acetate 252.23
    di(2-ethylhexyl) phthalate 169.86
    ethyl propionate 196.5
    nitromethane 599.3
    1,2-diethoxyethane 292.86
    benzonitrile 332.99
    trioctyl phosphate 135.15
    1-bromopropane 494.27
    gamma-valerolactone 817.15
    n-decanol 216.5
    triethyl phosphate 119.85
    4-methyl-2-pentanol 324.32
    propionitrile 470.43
    vinylene carbonate 379.64
    1,1,2-trichlorotrifluoroethane 612.45
    DMS 254.77
    cumene 147.66
    2-octanol 258.88
    2-hexanone 292.6
    octyl acetate 219.63
    limonene 197.41
    1,2-dimethoxyethane 652.17
    ethyl orthosilicate 123.69
    tributyl phosphate 152.62
    diacetone alcohol 455.26
    N,N-dimethylaniline 240.64
    acrylonitrile 507.67
    aniline 340.57
    1,3-propanediol 626.52
    bromobenzene 303.74
    dibromomethane 732.12
    1,1,2,2-tetrachloroethane 919.42
    2-methyl-cyclohexyl acetate 211.3
    tetrabutyl urea 180.52
    diisobutyl methanol 174.6
    2-phenylethanol 313.88
    styrene 189.93
    dioctyl adipate 209.65
    dimethyl sulfate 241.96
    ethyl butyrate 183.43
    methyl lactate 270.38
    butyl lactate 224.85
    diethyl carbonate 134.48
    propanediol butyl ether 453.55
    triethyl orthoformate 154.23
    p-tert-butyltoluene 134.53
    methyl 4-tert-butylbenzoate 279.14
    morpholine 839.93
    tert-butylamine 784.91
    n-dodecanol 161.89
    dimethoxymethane 404.25
    ethylene carbonate 310.43
    cyrene 290.71
    2-ethoxyethyl acetate 277.22
    2-ethylhexyl acetate 228.49
    1,2,4-trichlorobenzene 384.32
    4-methylpyridine 560.13
    dibutyl ether 251.48
    2,6-dimethyl-4-heptanol 174.6
    DEF 459.27
    dimethyl isosorbide 441.74
    tetrachloroethylene 560.56
    eugenol 280.55
    triacetin 317.76
    span 80 343.77
    1,4-butanediol 311.56
    1,1-dichloroethane 782.01
    2-methyl-1-pentanol 444.57
    methyl formate 302.33
    2-methyl-1-butanol 667.8
    n-decane 68.67
    butyronitrile 483.14
    3,7-dimethyl-1-octanol 330.16
    1-chlorooctane 222.28
    1-chlorotetradecane 88.8
    n-nonane 72.57
    undecane 49.65
    tert-butylcyclohexane 105.02
    cyclooctane 46.48
    cyclopentanol 742.57
    tetrahydropyran 695.52
    tert-amyl methyl ether 530.15
    2,5,8-trioxanonane 419.1
    1-hexene 372.72
    2-isopropoxyethanol 399.17
    2,2,2-trifluoroethanol 226.28
    methyl butyrate 267.11

    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