Butyl crotonate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7299-91-4

    Molecular formula
    C8H14O2

    SMILES
    CCCCOC(=O)/C=C/C

    Safety labels

    Oxidizer
    Oxidizer

    Irritant
    Irritant

  • Odor profile

    Fruity 93.9%
    Apple 66.31%
    Green 59.69%
    Sweet 54.82%
    Pineapple 52.66%
    Caramellic 50.64%
    Ethereal 49.91%
    Chamomile 47.13%
    Herbal 46.42%
    Rummy 46.1%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.12 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point est.
    52.67 ˚C

  • Synonyms

    • BUTYL CROTONATE
    • 7299-91-4
    • 2-Butenoic acid, butyl ester
    • butyl (E)-but-2-enoate
    • n-Butyl crotonate
    • Butyl 2-butenoate
    • 591-63-9
    • Crotonic acid, butyl ester
    • Crotonic acid n-butyl ester
    • butyl (E)-2-butenoate
    • trans-Butyl crotonate
    • Butyl crotonate, trans-
    • Butyl trans-but-2-enoate
    • EINECS 230-742-2
    • K9A7JVP79T
    • 2-Butenoic acid, butyl ester, (2E)-
    • (E)-2-Butenoic acid butyl ester
    • Crotonic acid, butyl ester, (E)-
    • Crotonic Acid Butyl Ester
    • UNII-K9A7JVP79T
    • 2-Butenoic acid, butyl ester, (E)-
    • DTXSID30920525
    • Butyl (2E)-2-butenoate #
    • (E)-Butyl but-2-enoate
    • DTXSID30864036
    • MFCD00053794
    • 2-Butenoic acid, butyl ester (9CI)
    • (E)-Butylbut-2-enoate
    • Butyl 2-butenoate, (E)
    • SCHEMBL109750
    • SCHEMBL109751
    • CHEMBL3273386
    • DTXCID10812590
    • DTXCID50909514
    • (E)-but-2-enoic acid butyl ester
    • DB-254123
    • CS-0363135
    • NS00121770
    • Q10261807
    • 230-742-2
    • 611-806-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3773.5
    methanol 3734.44
    isopropanol 3067.45
    water 1.2
    ethyl acetate 2142.68
    n-propanol 2791.34
    acetone 3717.64
    n-butanol 2618.57
    acetonitrile 2826.93
    DMF 4222.06
    toluene 812.25
    isobutanol 2206.28
    1,4-dioxane 2861.06
    methyl acetate 1852.52
    THF 3824.68
    2-butanone 2435.91
    n-pentanol 1658.92
    sec-butanol 2674.39
    n-hexane 609.46
    ethylene glycol 455.14
    NMP 3094.25
    cyclohexane 962.88
    DMSO 3527.83
    n-butyl acetate 1990.78
    n-octanol 1000.28
    chloroform 5731.83
    n-propyl acetate 1361.98
    acetic acid 4232.38
    dichloromethane 5024.39
    cyclohexanone 3681.01
    propylene glycol 792.44
    isopropyl acetate 1146.97
    DMAc 2180.02
    2-ethoxyethanol 1290.38
    isopentanol 2024.61
    n-heptane 286.27
    ethyl formate 1465.43
    1,2-dichloroethane 3171.41
    n-hexanol 1873.66
    2-methoxyethanol 2451.08
    isobutyl acetate 749.06
    tetrachloromethane 747.2
    n-pentyl acetate 1048.03
    transcutol 3948.57
    n-heptanol 727.52
    ethylbenzene 566.35
    MIBK 1031.2
    2-propoxyethanol 1764.03
    tert-butanol 3147.44
    MTBE 1847.32
    2-butoxyethanol 899.22
    propionic acid 2241.81
    o-xylene 508.16
    formic acid 764.88
    diethyl ether 2043.59
    m-xylene 527.68
    p-xylene 765.94
    chlorobenzene 1682.7
    dimethyl carbonate 518.31
    n-octane 127.63
    formamide 1003.01
    cyclopentanone 3370.71
    2-pentanone 2076.46
    anisole 1017.76
    cyclopentyl methyl ether 1800.7
    gamma-butyrolactone 3580.48
    1-methoxy-2-propanol 1839.25
    pyridine 3191.25
    3-pentanone 1312.68
    furfural 2589.69
    n-dodecane 106.82
    diethylene glycol 1050.05
    diisopropyl ether 541.0
    tert-amyl alcohol 2511.95
    acetylacetone 1711.25
    n-hexadecane 122.14
    acetophenone 953.28
    methyl propionate 1436.23
    isopentyl acetate 1516.03
    trichloroethylene 5905.21
    n-nonanol 789.04
    cyclohexanol 2460.4
    benzyl alcohol 904.16
    2-ethylhexanol 1015.8
    isooctanol 575.88
    dipropyl ether 991.66
    1,2-dichlorobenzene 1332.37
    ethyl lactate 513.98
    propylene carbonate 2001.35
    n-methylformamide 2002.35
    2-pentanol 1930.46
    n-pentane 472.64
    1-propoxy-2-propanol 1471.17
    1-methoxy-2-propyl acetate 1099.42
    2-(2-methoxypropoxy) propanol 905.42
    mesitylene 369.78
    ε-caprolactone 2642.5
    p-cymene 359.1
    epichlorohydrin 3474.04
    1,1,1-trichloroethane 2988.8
    2-aminoethanol 1067.12
    morpholine-4-carbaldehyde 2195.83
    sulfolane 3906.58
    2,2,4-trimethylpentane 183.86
    2-methyltetrahydrofuran 3236.78
    n-hexyl acetate 1672.28
    isooctane 152.02
    2-(2-butoxyethoxy)ethanol 1282.49
    sec-butyl acetate 792.9
    tert-butyl acetate 1125.65
    decalin 299.55
    glycerin 777.38
    diglyme 2015.08
    acrylic acid 1869.35
    isopropyl myristate 556.68
    n-butyric acid 3361.87
    acetyl acetate 1196.97
    di(2-ethylhexyl) phthalate 453.21
    ethyl propionate 1051.23
    nitromethane 4028.09
    1,2-diethoxyethane 1404.55
    benzonitrile 1601.19
    trioctyl phosphate 367.47
    1-bromopropane 2335.23
    gamma-valerolactone 3311.37
    n-decanol 554.02
    triethyl phosphate 407.93
    4-methyl-2-pentanol 797.35
    propionitrile 2155.79
    vinylene carbonate 1833.17
    1,1,2-trichlorotrifluoroethane 2279.9
    DMS 816.25
    cumene 367.08
    2-octanol 634.28
    2-hexanone 1509.54
    octyl acetate 753.08
    limonene 627.91
    1,2-dimethoxyethane 2343.46
    ethyl orthosilicate 386.39
    tributyl phosphate 489.84
    diacetone alcohol 1231.39
    N,N-dimethylaniline 655.1
    acrylonitrile 2455.42
    aniline 1237.85
    1,3-propanediol 1603.22
    bromobenzene 1776.08
    dibromomethane 3824.96
    1,1,2,2-tetrachloroethane 4533.79
    2-methyl-cyclohexyl acetate 741.92
    tetrabutyl urea 625.75
    diisobutyl methanol 511.62
    2-phenylethanol 900.7
    styrene 821.87
    dioctyl adipate 743.98
    dimethyl sulfate 774.87
    ethyl butyrate 1040.22
    methyl lactate 695.14
    butyl lactate 777.66
    diethyl carbonate 684.04
    propanediol butyl ether 1147.28
    triethyl orthoformate 640.68
    p-tert-butyltoluene 339.83
    methyl 4-tert-butylbenzoate 769.09
    morpholine 3775.39
    tert-butylamine 2020.16
    n-dodecanol 413.58
    dimethoxymethane 1543.62
    ethylene carbonate 1510.39
    cyrene 681.12
    2-ethoxyethyl acetate 1017.74
    2-ethylhexyl acetate 1078.45
    1,2,4-trichlorobenzene 1421.7
    4-methylpyridine 2978.5
    dibutyl ether 1128.24
    2,6-dimethyl-4-heptanol 511.62
    DEF 2213.75
    dimethyl isosorbide 1239.65
    tetrachloroethylene 2715.69
    eugenol 799.87
    triacetin 1038.1
    span 80 1023.65
    1,4-butanediol 642.98
    1,1-dichloroethane 3789.1
    2-methyl-1-pentanol 1352.3
    methyl formate 1355.24
    2-methyl-1-butanol 1918.61
    n-decane 186.23
    butyronitrile 2862.23
    3,7-dimethyl-1-octanol 858.39
    1-chlorooctane 662.4
    1-chlorotetradecane 250.73
    n-nonane 198.17
    undecane 137.36
    tert-butylcyclohexane 270.58
    cyclooctane 212.85
    cyclopentanol 2507.79
    tetrahydropyran 3757.45
    tert-amyl methyl ether 1226.4
    2,5,8-trioxanonane 1320.96
    1-hexene 1606.65
    2-isopropoxyethanol 872.86
    2,2,2-trifluoroethanol 782.44
    methyl butyrate 1729.02

    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

Botanical

Name CAS Botanical Proportion
Roman chamomile 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 1.3%