Crotonic acid, octyl ester

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C12H22O2

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

  • Odor profile

    Fragrance
    Fruity 79.63%
    Green 66.39%
    Waxy 61.05%
    Floral 60.09%
    Herbal 56.4%
    Fresh 53.0%
    Fatty 49.01%
    Oily 46.12%
    Mushroom 45.7%
    Sweet 44.73%

     

    Flavor
    Green 58.79%
    Fruity 55.83%
    Waxy 44.49%
    Fatty 36.1%
    Oily 31.45%
    Herbal 30.52%
    Tropical 30.37%
    Apple 29.08%
    Pear 28.87%
    Mushroom 27.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.66 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 103.97 ˚C est.

  • Synonyms

    • Crotonic acid, octyl ester
    • NSC67892
    • NSC-67892

  • Applications

    Crotonic acid, octyl ester is primarily used as a plasticizer for polymers and resins, improving flexibility and processability in formulations such as PVC and related vinyl or polyester systems. It can function as a reactive monomer or co-monomer for coatings, inks, and adhesives, enabling polymerization to tailor film properties. It is also evaluated as a reactive diluent or solvent in UV-curable coatings and other formulation systems, contributing to curing and film performance. In fragrance and cosmetic chemistry, octyl crotonate may be used as a fragrance ingredient or fixative component, providing odor characteristics or a carrier role. Finally, it serves as an intermediate in organic synthesis, used to prepare other crotonate-derived specialty esters via transesterification or related transformations. These uses are largely dependent on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9203.31
    methanol 9112.06
    isopropanol 8955.94
    water 0.07
    ethyl acetate 9024.6
    n-propanol 7973.49
    acetone 17453.96
    n-butanol 7007.01
    acetonitrile 8701.37
    DMF 9461.54
    toluene 3138.68
    isobutanol 6255.39
    1,4-dioxane 7404.59
    methyl acetate 6000.05
    THF 11921.58
    2-butanone 10698.8
    n-pentanol 4701.4
    sec-butanol 7694.44
    n-hexane 2629.62
    ethylene glycol 386.94
    NMP 5987.34
    cyclohexane 3318.12
    DMSO 10096.11
    n-butyl acetate 6522.21
    n-octanol 1507.17
    chloroform 11425.84
    n-propyl acetate 5762.97
    acetic acid 4360.72
    dichloromethane 12537.51
    cyclohexanone 13234.02
    propylene glycol 945.42
    isopropyl acetate 4895.36
    DMAc 4472.53
    2-ethoxyethanol 3403.85
    isopentanol 5769.24
    n-heptane 711.22
    ethyl formate 3701.32
    1,2-dichloroethane 10562.35
    n-hexanol 4071.06
    2-methoxyethanol 5796.92
    isobutyl acetate 2602.27
    tetrachloromethane 1867.54
    n-pentyl acetate 3204.41
    transcutol 9203.31
    n-heptanol 1350.18
    ethylbenzene 1615.66
    MIBK 3966.14
    2-propoxyethanol 4108.35
    tert-butanol 8427.56
    MTBE 9426.07
    2-butoxyethanol 2036.95
    propionic acid 3796.74
    o-xylene 1473.73
    formic acid 577.59
    diethyl ether 10836.75
    m-xylene 1714.52
    p-xylene 1982.03
    chlorobenzene 3838.44
    dimethyl carbonate 1081.09
    n-octane 257.81
    formamide 1189.72
    cyclopentanone 10341.64
    2-pentanone 10097.24
    anisole 2344.77
    cyclopentyl methyl ether 7609.57
    gamma-butyrolactone 8290.38
    1-methoxy-2-propanol 4652.57
    pyridine 8205.81
    3-pentanone 5527.91
    furfural 4665.43
    n-dodecane 135.92
    diethylene glycol 1702.64
    diisopropyl ether 2437.0
    tert-amyl alcohol 6961.21
    acetylacetone 5671.58
    n-hexadecane 167.19
    acetophenone 2100.74
    methyl propionate 5118.44
    isopentyl acetate 4652.36
    trichloroethylene 13983.19
    n-nonanol 1220.74
    cyclohexanol 6770.02
    benzyl alcohol 1807.8
    2-ethylhexanol 2339.33
    isooctanol 1174.55
    dipropyl ether 3832.64
    1,2-dichlorobenzene 2911.78
    ethyl lactate 1142.65
    propylene carbonate 3928.94
    n-methylformamide 4172.75
    2-pentanol 5736.64
    n-pentane 1595.03
    1-propoxy-2-propanol 3561.84
    1-methoxy-2-propyl acetate 3277.2
    2-(2-methoxypropoxy) propanol 1547.37
    mesitylene 1069.16
    ε-caprolactone 7792.26
    p-cymene 758.72
    epichlorohydrin 9504.17
    1,1,1-trichloroethane 8725.25
    2-aminoethanol 1569.42
    morpholine-4-carbaldehyde 4355.57
    sulfolane 8475.28
    2,2,4-trimethylpentane 442.6
    2-methyltetrahydrofuran 12151.85
    n-hexyl acetate 3691.38
    isooctane 372.91
    2-(2-butoxyethoxy)ethanol 2398.32
    sec-butyl acetate 3240.38
    tert-butyl acetate 4104.77
    decalin 767.69
    glycerin 836.15
    diglyme 4313.91
    acrylic acid 2275.61
    isopropyl myristate 1089.65
    n-butyric acid 7525.91
    acetyl acetate 2980.23
    di(2-ethylhexyl) phthalate 743.77
    ethyl propionate 4095.12
    nitromethane 7592.75
    1,2-diethoxyethane 4982.97
    benzonitrile 3234.28
    trioctyl phosphate 607.86
    1-bromopropane 8937.45
    gamma-valerolactone 9065.38
    n-decanol 792.55
    triethyl phosphate 866.09
    4-methyl-2-pentanol 2170.64
    propionitrile 6368.01
    vinylene carbonate 3076.28
    1,1,2-trichlorotrifluoroethane 4485.62
    DMS 1808.78
    cumene 858.28
    2-octanol 1178.4
    2-hexanone 6144.65
    octyl acetate 1376.7
    limonene 1583.83
    1,2-dimethoxyethane 6740.71
    ethyl orthosilicate 898.85
    tributyl phosphate 854.97
    diacetone alcohol 3375.73
    N,N-dimethylaniline 1390.58
    acrylonitrile 5919.91
    aniline 3348.67
    1,3-propanediol 2636.31
    bromobenzene 4494.55
    dibromomethane 10002.23
    1,1,2,2-tetrachloroethane 11025.48
    2-methyl-cyclohexyl acetate 1811.54
    tetrabutyl urea 1119.82
    diisobutyl methanol 1154.58
    2-phenylethanol 1737.97
    styrene 2382.36
    dioctyl adipate 1389.12
    dimethyl sulfate 1533.94
    ethyl butyrate 3323.03
    methyl lactate 1322.13
    butyl lactate 1745.14
    diethyl carbonate 1640.58
    propanediol butyl ether 1815.61
    triethyl orthoformate 1680.01
    p-tert-butyltoluene 709.48
    methyl 4-tert-butylbenzoate 1362.87
    morpholine 11540.71
    tert-butylamine 6020.4
    n-dodecanol 570.22
    dimethoxymethane 4762.7
    ethylene carbonate 2868.49
    cyrene 1164.58
    2-ethoxyethyl acetate 2955.14
    2-ethylhexyl acetate 3435.79
    1,2,4-trichlorobenzene 3153.47
    4-methylpyridine 8058.51
    dibutyl ether 3525.58
    2,6-dimethyl-4-heptanol 1154.58
    DEF 7945.8
    dimethyl isosorbide 2481.58
    tetrachloroethylene 6639.64
    eugenol 1292.32
    triacetin 2063.96
    span 80 1680.97
    1,4-butanediol 1009.42
    1,1-dichloroethane 11736.81
    2-methyl-1-pentanol 3733.34
    methyl formate 2327.88
    2-methyl-1-butanol 5462.4
    n-decane 285.24
    butyronitrile 8642.02
    3,7-dimethyl-1-octanol 1527.68
    1-chlorooctane 1401.15
    1-chlorotetradecane 415.64
    n-nonane 331.73
    undecane 189.11
    tert-butylcyclohexane 651.79
    cyclooctane 671.51
    cyclopentanol 6030.41
    tetrahydropyran 15728.81
    tert-amyl methyl ether 5370.06
    2,5,8-trioxanonane 2478.71
    1-hexene 7294.82
    2-isopropoxyethanol 2578.42
    2,2,2-trifluoroethanol 778.08
    methyl butyrate 6310.28

    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