3-Pentenoic acid isopropyl ester

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  • Identifiers

    CAS number
    62030-41-5

    Molecular formula
    C8H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.41%
    Green 69.54%
    Apple 60.56%
    Pineapple 55.02%
    Tropical 52.89%
    Sweet 39.7%
    Pear 35.76%
    Winey 35.45%
    Banana 34.59%
    Ripe 33.0%

     

    Flavor
    Fruity 61.34%
    Tropical 43.41%
    Sweet 31.85%
    Pineapple 29.75%
    Green 28.77%
    Ethereal 25.59%
    Cheese 23.66%
    Fresh 22.93%
    Berry 22.05%
    Fruit 21.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.4 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 48.5 ˚C est.

  • Synonyms

    • 3-Pentenoic acid isopropyl ester
    • isopropyl 3-pentenoate
    • 62030-41-5
    • SCHEMBL10704162
    • 62030-41-5

  • Applications

    3-Pentenoic acid isopropyl ester (CAS 62030-41-5) is primarily used as a reactive monomer and intermediate in polymer and coating formulations. The vinyl functionality enables copolymerization and crosslinking in UV-curable coatings, inks, and adhesives, enabling the synthesis of specialty polyester and acrylate resins with pendant unsaturation. It also serves as a reactive diluent to adjust viscosity in these formulations. Additionally, it can be employed as a precursor to other specialty esters in fragrance/personal care chemistry, providing routes to odor-active materials through esterification or functionalization. Its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 985.76
    methanol 1259.66
    isopropanol 926.59
    water 7.57
    ethyl acetate 359.66
    n-propanol 782.21
    acetone 602.05
    n-butanol 731.72
    acetonitrile 433.84
    DMF 1023.16
    toluene 256.02
    isobutanol 628.02
    1,4-dioxane 882.16
    methyl acetate 381.26
    THF 1114.32
    2-butanone 435.04
    n-pentanol 490.59
    sec-butanol 788.06
    n-hexane 271.24
    ethylene glycol 288.23
    NMP 965.12
    cyclohexane 308.22
    DMSO 651.8
    n-butyl acetate 283.02
    n-octanol 305.23
    chloroform 1490.79
    n-propyl acetate 189.19
    acetic acid 1022.72
    dichloromethane 834.37
    cyclohexanone 697.35
    propylene glycol 418.45
    isopropyl acetate 240.96
    DMAc 985.77
    2-ethoxyethanol 456.07
    isopentanol 580.79
    n-heptane 98.05
    ethyl formate 257.59
    1,2-dichloroethane 451.88
    n-hexanol 645.38
    2-methoxyethanol 847.88
    isobutyl acetate 142.84
    tetrachloromethane 245.02
    n-pentyl acetate 199.62
    transcutol 1038.07
    n-heptanol 213.52
    ethylbenzene 171.0
    MIBK 230.93
    2-propoxyethanol 700.83
    tert-butanol 1015.23
    MTBE 588.68
    2-butoxyethanol 300.06
    propionic acid 595.78
    o-xylene 183.16
    formic acid 333.19
    diethyl ether 495.76
    m-xylene 183.69
    p-xylene 218.02
    chlorobenzene 321.16
    dimethyl carbonate 140.66
    n-octane 40.74
    formamide 258.87
    cyclopentanone 640.62
    2-pentanone 361.49
    anisole 273.33
    cyclopentyl methyl ether 525.15
    gamma-butyrolactone 661.52
    1-methoxy-2-propanol 676.7
    pyridine 539.55
    3-pentanone 294.67
    furfural 578.32
    n-dodecane 39.21
    diethylene glycol 505.4
    diisopropyl ether 158.23
    tert-amyl alcohol 824.66
    acetylacetone 348.82
    n-hexadecane 42.62
    acetophenone 235.24
    methyl propionate 298.15
    isopentyl acetate 274.93
    trichloroethylene 836.1
    n-nonanol 255.03
    cyclohexanol 711.17
    benzyl alcohol 273.62
    2-ethylhexanol 308.6
    isooctanol 163.64
    dipropyl ether 238.0
    1,2-dichlorobenzene 277.43
    ethyl lactate 151.31
    propylene carbonate 403.74
    n-methylformamide 415.44
    2-pentanol 503.74
    n-pentane 206.1
    1-propoxy-2-propanol 445.96
    1-methoxy-2-propyl acetate 272.83
    2-(2-methoxypropoxy) propanol 353.55
    mesitylene 127.92
    ε-caprolactone 581.45
    p-cymene 111.09
    epichlorohydrin 608.95
    1,1,1-trichloroethane 544.75
    2-aminoethanol 478.77
    morpholine-4-carbaldehyde 774.69
    sulfolane 749.18
    2,2,4-trimethylpentane 88.98
    2-methyltetrahydrofuran 810.43
    n-hexyl acetate 382.82
    isooctane 58.53
    2-(2-butoxyethoxy)ethanol 439.87
    sec-butyl acetate 156.41
    tert-butyl acetate 280.52
    decalin 113.08
    glycerin 452.56
    diglyme 602.82
    acrylic acid 511.34
    isopropyl myristate 153.48
    n-butyric acid 674.75
    acetyl acetate 254.95
    di(2-ethylhexyl) phthalate 174.04
    ethyl propionate 199.39
    nitromethane 724.24
    1,2-diethoxyethane 322.42
    benzonitrile 315.17
    trioctyl phosphate 122.65
    1-bromopropane 415.83
    gamma-valerolactone 755.57
    n-decanol 184.45
    triethyl phosphate 124.58
    4-methyl-2-pentanol 263.21
    propionitrile 372.67
    vinylene carbonate 364.22
    1,1,2-trichlorotrifluoroethane 644.58
    DMS 234.94
    cumene 124.56
    2-octanol 170.09
    2-hexanone 257.16
    octyl acetate 202.7
    limonene 191.59
    1,2-dimethoxyethane 713.77
    ethyl orthosilicate 129.87
    tributyl phosphate 147.78
    diacetone alcohol 345.41
    N,N-dimethylaniline 224.33
    acrylonitrile 379.41
    aniline 329.76
    1,3-propanediol 588.57
    bromobenzene 324.74
    dibromomethane 653.49
    1,1,2,2-tetrachloroethane 856.54
    2-methyl-cyclohexyl acetate 214.99
    tetrabutyl urea 193.92
    diisobutyl methanol 160.13
    2-phenylethanol 295.23
    styrene 200.61
    dioctyl adipate 210.33
    dimethyl sulfate 232.75
    ethyl butyrate 185.02
    methyl lactate 224.38
    butyl lactate 190.44
    diethyl carbonate 146.73
    propanediol butyl ether 367.34
    triethyl orthoformate 163.08
    p-tert-butyltoluene 114.77
    methyl 4-tert-butylbenzoate 255.1
    morpholine 1016.2
    tert-butylamine 681.31
    n-dodecanol 141.75
    dimethoxymethane 442.59
    ethylene carbonate 308.23
    cyrene 288.66
    2-ethoxyethyl acetate 232.43
    2-ethylhexyl acetate 217.21
    1,2,4-trichlorobenzene 341.09
    4-methylpyridine 553.96
    dibutyl ether 256.23
    2,6-dimethyl-4-heptanol 160.13
    DEF 486.34
    dimethyl isosorbide 454.61
    tetrachloroethylene 554.26
    eugenol 258.47
    triacetin 309.2
    span 80 355.39
    1,4-butanediol 275.79
    1,1-dichloroethane 603.19
    2-methyl-1-pentanol 432.85
    methyl formate 290.53
    2-methyl-1-butanol 570.41
    n-decane 61.7
    butyronitrile 438.9
    3,7-dimethyl-1-octanol 274.77
    1-chlorooctane 183.63
    1-chlorotetradecane 82.63
    n-nonane 63.16
    undecane 47.01
    tert-butylcyclohexane 110.46
    cyclooctane 84.65
    cyclopentanol 720.77
    tetrahydropyran 903.85
    tert-amyl methyl ether 448.32
    2,5,8-trioxanonane 472.08
    1-hexene 448.39
    2-isopropoxyethanol 329.12
    2,2,2-trifluoroethanol 265.68
    methyl butyrate 252.44

    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