2-Penten-1-ol, 2-methyl-, acetate, (2E)-

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  • Identifiers

    CAS number
    1838-88-6

    Molecular formula
    C8H14O2

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 96.19%
    Green 71.79%
    Banana 55.83%
    Apple 53.96%
    Sweet 50.21%
    Ethereal 49.18%
    Pear 44.57%
    Fresh 44.11%
    Tropical 41.1%
    Pineapple 35.67%

     

    Flavor
    Fruity 74.95%
    Sweet 63.87%
    Green 49.7%
    Banana 46.94%
    Bitter 45.17%
    Fruit 40.07%
    Apple 39.63%
    Fresh 36.11%
    Lavender 34.61%
    Tropical 34.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.29 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 60.02 ˚C est.

  • Synonyms

    • 2-Methylpent-2-en-1-yl acetate
    • [(E)-2-methylpent-2-enyl] acetate
    • 1838-88-6
    • 2-Penten-1-ol, 2-methyl-, acetate
    • MRX7SJW6HB
    • 2-Penten-1-ol, 2-methyl-, acetate, (2E)-
    • 2-Penten-1-ol, 2-methyl-, 1-acetate
    • EINECS 217-416-5
    • UNII-MRX7SJW6HB
    • SCHEMBL1572599
    • SLNZJIRRMLAZEY-FNORWQNLSA-N
    • DTXSID201275058
    • NS00012963

  • Applications

    CAS 1838-88-6, 2-Penten-1-ol, 2-methyl-, acetate, (2E)- is primarily used in perfumery as a fragrance ingredient and intermediate, contributing fruity and green notes in formulations. It is commonly evaluated as a flavor intermediate in aroma applications. In cosmetics and personal care, it serves as a fragrance component or fixative in creams, lotions, and other products. In household products, it functions as a fragrance additive for cleaners, detergents, and air fresheners. In polymers and plastics, it can act as a processing aid or solvent and as an intermediate in the synthesis of ester-based additives for polymer formulations. In coatings and inks, it may be incorporated as a fragrance contributor or chemical intermediate to tailor odor and compatibility. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2104.33
    methanol 2558.17
    isopropanol 1865.56
    water 7.71
    ethyl acetate 587.22
    n-propanol 1541.07
    acetone 1138.73
    n-butanol 1424.11
    acetonitrile 864.54
    DMF 1538.72
    toluene 388.48
    isobutanol 1157.35
    1,4-dioxane 1412.25
    methyl acetate 662.5
    THF 1283.19
    2-butanone 850.13
    n-pentanol 915.13
    sec-butanol 1510.89
    n-hexane 287.4
    ethylene glycol 488.04
    NMP 1058.9
    cyclohexane 194.92
    DMSO 1098.62
    n-butyl acetate 435.83
    n-octanol 395.76
    chloroform 1947.31
    n-propyl acetate 334.48
    acetic acid 1242.53
    dichloromethane 1293.57
    cyclohexanone 1007.29
    propylene glycol 743.57
    isopropyl acetate 392.15
    DMAc 1328.38
    2-ethoxyethanol 981.93
    isopentanol 1131.67
    n-heptane 74.01
    ethyl formate 431.49
    1,2-dichloroethane 715.3
    n-hexanol 887.59
    2-methoxyethanol 1659.69
    isobutyl acetate 242.18
    tetrachloromethane 368.25
    n-pentyl acetate 289.93
    transcutol 1869.19
    n-heptanol 319.58
    ethylbenzene 261.45
    MIBK 406.37
    2-propoxyethanol 985.56
    tert-butanol 2053.9
    MTBE 1217.57
    2-butoxyethanol 491.76
    propionic acid 881.89
    o-xylene 286.73
    formic acid 496.72
    diethyl ether 890.32
    m-xylene 286.63
    p-xylene 320.92
    chlorobenzene 428.68
    dimethyl carbonate 175.59
    n-octane 31.59
    formamide 470.77
    cyclopentanone 892.93
    2-pentanone 636.77
    anisole 467.32
    cyclopentyl methyl ether 717.41
    gamma-butyrolactone 832.26
    1-methoxy-2-propanol 1159.36
    pyridine 836.14
    3-pentanone 433.5
    furfural 757.16
    n-dodecane 26.4
    diethylene glycol 763.66
    diisopropyl ether 225.49
    tert-amyl alcohol 1622.47
    acetylacetone 512.32
    n-hexadecane 29.14
    acetophenone 382.94
    methyl propionate 431.37
    isopentyl acetate 412.0
    trichloroethylene 1326.13
    n-nonanol 306.83
    cyclohexanol 1007.31
    benzyl alcohol 451.13
    2-ethylhexanol 414.86
    isooctanol 243.42
    dipropyl ether 299.46
    1,2-dichlorobenzene 380.19
    ethyl lactate 229.81
    propylene carbonate 489.53
    n-methylformamide 697.74
    2-pentanol 958.79
    n-pentane 196.62
    1-propoxy-2-propanol 613.74
    1-methoxy-2-propyl acetate 376.85
    2-(2-methoxypropoxy) propanol 482.41
    mesitylene 175.5
    ε-caprolactone 800.29
    p-cymene 136.1
    epichlorohydrin 935.94
    1,1,1-trichloroethane 924.55
    2-aminoethanol 957.56
    morpholine-4-carbaldehyde 1108.23
    sulfolane 949.77
    2,2,4-trimethylpentane 98.87
    2-methyltetrahydrofuran 1234.26
    n-hexyl acetate 511.89
    isooctane 62.55
    2-(2-butoxyethoxy)ethanol 654.97
    sec-butyl acetate 279.17
    tert-butyl acetate 455.43
    decalin 105.14
    glycerin 739.26
    diglyme 921.19
    acrylic acid 721.46
    isopropyl myristate 162.35
    n-butyric acid 1007.06
    acetyl acetate 323.05
    di(2-ethylhexyl) phthalate 189.6
    ethyl propionate 298.76
    nitromethane 1036.31
    1,2-diethoxyethane 537.97
    benzonitrile 503.28
    trioctyl phosphate 131.6
    1-bromopropane 711.47
    gamma-valerolactone 1078.21
    n-decanol 210.13
    triethyl phosphate 145.75
    4-methyl-2-pentanol 439.41
    propionitrile 699.27
    vinylene carbonate 457.89
    1,1,2-trichlorotrifluoroethane 931.99
    DMS 299.04
    cumene 180.07
    2-octanol 236.53
    2-hexanone 471.71
    octyl acetate 224.06
    limonene 234.58
    1,2-dimethoxyethane 1192.72
    ethyl orthosilicate 156.84
    tributyl phosphate 168.98
    diacetone alcohol 613.56
    N,N-dimethylaniline 340.73
    acrylonitrile 720.0
    aniline 571.02
    1,3-propanediol 1138.75
    bromobenzene 428.42
    dibromomethane 1000.52
    1,1,2,2-tetrachloroethane 1272.77
    2-methyl-cyclohexyl acetate 265.1
    tetrabutyl urea 207.25
    diisobutyl methanol 203.37
    2-phenylethanol 403.72
    styrene 309.84
    dioctyl adipate 236.62
    dimethyl sulfate 297.84
    ethyl butyrate 260.49
    methyl lactate 312.08
    butyl lactate 263.93
    diethyl carbonate 179.24
    propanediol butyl ether 584.75
    triethyl orthoformate 201.22
    p-tert-butyltoluene 138.47
    methyl 4-tert-butylbenzoate 324.29
    morpholine 1746.65
    tert-butylamine 1340.04
    n-dodecanol 151.75
    dimethoxymethane 631.73
    ethylene carbonate 377.72
    cyrene 386.82
    2-ethoxyethyl acetate 371.33
    2-ethylhexyl acetate 323.65
    1,2,4-trichlorobenzene 488.17
    4-methylpyridine 920.46
    dibutyl ether 330.98
    2,6-dimethyl-4-heptanol 203.37
    DEF 785.74
    dimethyl isosorbide 532.37
    tetrachloroethylene 819.34
    eugenol 353.52
    triacetin 390.48
    span 80 457.64
    1,4-butanediol 484.8
    1,1-dichloroethane 1032.62
    2-methyl-1-pentanol 809.28
    methyl formate 434.18
    2-methyl-1-butanol 1138.8
    n-decane 46.46
    butyronitrile 834.05
    3,7-dimethyl-1-octanol 369.31
    1-chlorooctane 202.47
    1-chlorotetradecane 71.04
    n-nonane 48.77
    undecane 33.56
    tert-butylcyclohexane 111.33
    cyclooctane 56.91
    cyclopentanol 979.64
    tetrahydropyran 1304.5
    tert-amyl methyl ether 821.8
    2,5,8-trioxanonane 643.18
    1-hexene 714.41
    2-isopropoxyethanol 637.19
    2,2,2-trifluoroethanol 348.85
    methyl butyrate 433.1

    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