Ethyl trans-chrysanthemate

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  • Identifiers

    CAS number
    1802-02-4

    Molecular formula
    C12H20O2

    SMILES
    CCOC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C

  • Odor profile

    Fragrance
    Fruity 84.99%
    Herbal 73.7%
    Floral 69.44%
    Sweet 57.98%
    Rose 51.5%
    Woody 51.47%
    Spicy 46.51%
    Apple 40.14%
    Berry 37.64%
    Citrus 37.13%

     

    Flavor
    Bitter 55.2%
    Bergamot 31.6%
    Fruity 30.02%
    Woody 29.86%
    Herbal 28.66%
    Sweet 26.53%
    Lavender 22.4%
    Heather 22.07%
    Genet 21.9%
    Rose 21.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.61 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 79.94 ˚C est.

  • Synonyms

    • Ethyl trans-chrysanthemate
    • Ethyl trans-(+)-chrysanthemate
    • trans-Chrysanthemic acid ethyl ester
    • 1802-02-4
    • 41641-25-2
    • Ethyl trans-(+)-chrysanthemumate
    • 7Y8VSY6V76
    • SCHEMBL3676624
    • VIMXTGUGWLAOFZ-ZJUUUORDSA-N
    • AKOS006343547
    • ETHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
    • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester, (1R,3R)-

  • Applications

    Ethyl trans-chrysanthemate (CAS 1802-02-4) is primarily encountered as an intermediate in the synthesis of pyrethroid insecticides used in agriculture and vector control; in perfumery it can function as an odorant or fixative, contributing floral and resinous notes, and is sometimes evaluated for use in cosmetics and personal care formulations as a fragrance ingredient or fixative. In industrial manufacturing it may be employed as a specialty ester intermediate for organic synthesis, and in household products it may appear as a fragrance additive in cleaners and air fresheners, subject to formulation limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 758.07
    methanol 551.28
    isopropanol 1081.07
    water 1.45
    ethyl acetate 805.28
    n-propanol 788.21
    acetone 1090.04
    n-butanol 784.21
    acetonitrile 663.15
    DMF 1179.77
    toluene 579.91
    isobutanol 837.08
    1,4-dioxane 1333.87
    methyl acetate 867.19
    THF 2299.65
    2-butanone 1006.05
    n-pentanol 586.34
    sec-butanol 1070.48
    n-hexane 213.83
    ethylene glycol 201.91
    NMP 1194.86
    cyclohexane 320.15
    DMSO 607.58
    n-butyl acetate 674.59
    n-octanol 497.77
    chloroform 2596.7
    n-propyl acetate 523.75
    acetic acid 685.26
    dichloromethane 1672.58
    cyclohexanone 1278.69
    propylene glycol 496.45
    isopropyl acetate 636.73
    DMAc 974.1
    2-ethoxyethanol 548.19
    isopentanol 795.46
    n-heptane 129.22
    ethyl formate 479.76
    1,2-dichloroethane 1016.33
    n-hexanol 873.88
    2-methoxyethanol 871.78
    isobutyl acetate 446.22
    tetrachloromethane 393.12
    n-pentyl acetate 457.62
    transcutol 942.34
    n-heptanol 394.27
    ethylbenzene 406.45
    MIBK 635.23
    2-propoxyethanol 912.89
    tert-butanol 1322.44
    MTBE 1191.74
    2-butoxyethanol 518.18
    propionic acid 642.54
    o-xylene 401.36
    formic acid 179.17
    diethyl ether 785.28
    m-xylene 498.6
    p-xylene 532.47
    chlorobenzene 715.26
    dimethyl carbonate 355.12
    n-octane 74.31
    formamide 238.72
    cyclopentanone 1525.07
    2-pentanone 845.38
    anisole 641.51
    cyclopentyl methyl ether 1026.79
    gamma-butyrolactone 1485.13
    1-methoxy-2-propanol 950.15
    pyridine 965.36
    3-pentanone 607.88
    furfural 975.69
    n-dodecane 72.5
    diethylene glycol 605.39
    diisopropyl ether 383.6
    tert-amyl alcohol 1120.27
    acetylacetone 849.11
    n-hexadecane 82.63
    acetophenone 558.03
    methyl propionate 665.31
    isopentyl acetate 715.39
    trichloroethylene 2007.64
    n-nonanol 419.46
    cyclohexanol 929.28
    benzyl alcohol 467.81
    2-ethylhexanol 481.49
    isooctanol 347.47
    dipropyl ether 415.97
    1,2-dichlorobenzene 643.09
    ethyl lactate 327.85
    propylene carbonate 1008.4
    n-methylformamide 472.11
    2-pentanol 772.97
    n-pentane 201.13
    1-propoxy-2-propanol 684.07
    1-methoxy-2-propyl acetate 716.39
    2-(2-methoxypropoxy) propanol 499.92
    mesitylene 335.14
    ε-caprolactone 1106.25
    p-cymene 260.75
    epichlorohydrin 1554.3
    1,1,1-trichloroethane 1411.36
    2-aminoethanol 405.79
    morpholine-4-carbaldehyde 1051.01
    sulfolane 1406.7
    2,2,4-trimethylpentane 129.65
    2-methyltetrahydrofuran 1613.18
    n-hexyl acetate 815.24
    isooctane 118.9
    2-(2-butoxyethoxy)ethanol 605.4
    sec-butyl acetate 442.4
    tert-butyl acetate 741.89
    decalin 177.76
    glycerin 446.63
    diglyme 823.44
    acrylic acid 514.18
    isopropyl myristate 349.34
    n-butyric acid 814.44
    acetyl acetate 559.21
    di(2-ethylhexyl) phthalate 302.79
    ethyl propionate 492.42
    nitromethane 884.94
    1,2-diethoxyethane 480.45
    benzonitrile 604.78
    trioctyl phosphate 242.66
    1-bromopropane 845.92
    gamma-valerolactone 1461.11
    n-decanol 321.18
    triethyl phosphate 235.32
    4-methyl-2-pentanol 506.88
    propionitrile 655.83
    vinylene carbonate 804.14
    1,1,2-trichlorotrifluoroethane 1026.46
    DMS 563.2
    cumene 292.63
    2-octanol 362.66
    2-hexanone 612.87
    octyl acetate 434.31
    limonene 364.11
    1,2-dimethoxyethane 903.01
    ethyl orthosilicate 228.83
    tributyl phosphate 270.59
    diacetone alcohol 768.52
    N,N-dimethylaniline 423.03
    acrylonitrile 664.24
    aniline 562.03
    1,3-propanediol 566.45
    bromobenzene 808.47
    dibromomethane 1294.18
    1,1,2,2-tetrachloroethane 1778.11
    2-methyl-cyclohexyl acetate 457.02
    tetrabutyl urea 315.42
    diisobutyl methanol 297.43
    2-phenylethanol 564.23
    styrene 429.78
    dioctyl adipate 402.21
    dimethyl sulfate 501.96
    ethyl butyrate 449.51
    methyl lactate 436.18
    butyl lactate 371.11
    diethyl carbonate 335.68
    propanediol butyl ether 564.47
    triethyl orthoformate 318.73
    p-tert-butyltoluene 272.38
    methyl 4-tert-butylbenzoate 525.7
    morpholine 1430.24
    tert-butylamine 891.99
    n-dodecanol 252.66
    dimethoxymethane 798.14
    ethylene carbonate 691.45
    cyrene 531.55
    2-ethoxyethyl acetate 490.73
    2-ethylhexyl acetate 549.85
    1,2,4-trichlorobenzene 817.46
    4-methylpyridine 1032.15
    dibutyl ether 413.0
    2,6-dimethyl-4-heptanol 297.43
    DEF 708.55
    dimethyl isosorbide 774.67
    tetrachloroethylene 971.53
    eugenol 451.53
    triacetin 575.77
    span 80 522.85
    1,4-butanediol 301.67
    1,1-dichloroethane 1395.18
    2-methyl-1-pentanol 599.13
    methyl formate 415.54
    2-methyl-1-butanol 767.75
    n-decane 114.58
    butyronitrile 754.39
    3,7-dimethyl-1-octanol 483.74
    1-chlorooctane 364.95
    1-chlorotetradecane 164.35
    n-nonane 114.52
    undecane 90.19
    tert-butylcyclohexane 172.39
    cyclooctane 124.7
    cyclopentanol 1039.63
    tetrahydropyran 1495.21
    tert-amyl methyl ether 734.09
    2,5,8-trioxanonane 616.8
    1-hexene 482.72
    2-isopropoxyethanol 498.39
    2,2,2-trifluoroethanol 280.01
    methyl butyrate 623.99

    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