3-(Cyclohexen-1-yl)prop-2-enal

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H12O

    SMILES
    C1CCC(=CC1)C=CC=O

    Retention indicies (RI)

    • DB5: 1001.0

  • Odor profile

    Fruity 65.7%
    Fatty 58.73%
    Sweet 57.76%
    Green 56.12%
    Spicy 56.02%
    Aldehydic 49.98%
    Cinnamon 45.85%
    Citrus 38.72%
    Oily 38.66%
    Floral 38.45%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point est.
    90.69 ˚C

  • Synonyms

    • SCHEMBL11094445

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1054.83
    methanol 1106.26
    isopropanol 608.15
    water 0.26
    ethyl acetate 2135.95
    n-propanol 806.21
    acetone 3769.69
    n-butanol 609.15
    acetonitrile 1710.8
    DMF 3316.81
    toluene 943.12
    isobutanol 507.65
    1,4-dioxane 1873.06
    methyl acetate 1966.68
    THF 3101.21
    2-butanone 2701.47
    n-pentanol 338.82
    sec-butanol 559.51
    n-hexane 50.33
    ethylene glycol 284.09
    NMP 3281.69
    cyclohexane 89.16
    DMSO 6513.86
    n-butyl acetate 1060.46
    n-octanol 157.85
    chloroform 2532.31
    n-propyl acetate 904.32
    acetic acid 1034.4
    dichloromethane 3690.83
    cyclohexanone 2658.17
    propylene glycol 342.83
    isopropyl acetate 808.9
    DMAc 1601.33
    2-ethoxyethanol 716.15
    isopentanol 495.57
    n-heptane 40.65
    ethyl formate 996.48
    1,2-dichloroethane 3184.21
    n-hexanol 419.96
    2-methoxyethanol 1575.85
    isobutyl acetate 398.73
    tetrachloromethane 387.81
    n-pentyl acetate 450.98
    transcutol 5158.79
    n-heptanol 138.12
    ethylbenzene 331.19
    MIBK 633.14
    2-propoxyethanol 862.4
    tert-butanol 618.88
    MTBE 743.13
    2-butoxyethanol 393.78
    propionic acid 1047.43
    o-xylene 434.85
    formic acid 418.94
    diethyl ether 1020.69
    m-xylene 495.67
    p-xylene 361.94
    chlorobenzene 1285.16
    dimethyl carbonate 698.12
    n-octane 11.43
    formamide 1093.52
    cyclopentanone 4318.22
    2-pentanone 1910.52
    anisole 792.21
    cyclopentyl methyl ether 1492.72
    gamma-butyrolactone 4318.38
    1-methoxy-2-propanol 1002.34
    pyridine 2705.74
    3-pentanone 1439.15
    furfural 2905.37
    n-dodecane 8.15
    diethylene glycol 625.74
    diisopropyl ether 230.12
    tert-amyl alcohol 539.88
    acetylacetone 2005.21
    n-hexadecane 10.08
    acetophenone 716.72
    methyl propionate 1866.83
    isopentyl acetate 741.45
    trichloroethylene 5544.16
    n-nonanol 128.04
    cyclohexanol 590.69
    benzyl alcohol 554.07
    2-ethylhexanol 246.29
    isooctanol 116.24
    dipropyl ether 405.5
    1,2-dichlorobenzene 1034.52
    ethyl lactate 267.06
    propylene carbonate 1577.88
    n-methylformamide 2045.03
    2-pentanol 383.9
    n-pentane 43.75
    1-propoxy-2-propanol 622.33
    1-methoxy-2-propyl acetate 926.28
    2-(2-methoxypropoxy) propanol 470.78
    mesitylene 243.68
    ε-caprolactone 1955.23
    p-cymene 162.35
    epichlorohydrin 4577.27
    1,1,1-trichloroethane 2007.12
    2-aminoethanol 536.88
    morpholine-4-carbaldehyde 2260.42
    sulfolane 4850.58
    2,2,4-trimethylpentane 26.12
    2-methyltetrahydrofuran 2661.19
    n-hexyl acetate 652.62
    isooctane 23.29
    2-(2-butoxyethoxy)ethanol 785.76
    sec-butyl acetate 487.99
    tert-butyl acetate 736.45
    decalin 52.2
    glycerin 433.99
    diglyme 1653.51
    acrylic acid 954.27
    isopropyl myristate 171.56
    n-butyric acid 1103.18
    acetyl acetate 924.43
    di(2-ethylhexyl) phthalate 170.58
    ethyl propionate 787.3
    nitromethane 3658.1
    1,2-diethoxyethane 1164.78
    benzonitrile 952.48
    trioctyl phosphate 114.32
    1-bromopropane 1099.15
    gamma-valerolactone 3594.35
    n-decanol 90.87
    triethyl phosphate 205.85
    4-methyl-2-pentanol 186.2
    propionitrile 1088.47
    vinylene carbonate 1280.46
    1,1,2-trichlorotrifluoroethane 1794.94
    DMS 778.38
    cumene 165.97
    2-octanol 95.26
    2-hexanone 953.15
    octyl acetate 229.77
    limonene 252.83
    1,2-dimethoxyethane 1278.55
    ethyl orthosilicate 190.0
    tributyl phosphate 187.36
    diacetone alcohol 839.4
    N,N-dimethylaniline 375.77
    acrylonitrile 1676.82
    aniline 1111.26
    1,3-propanediol 664.78
    bromobenzene 1394.95
    dibromomethane 2034.79
    1,1,2,2-tetrachloroethane 3279.31
    2-methyl-cyclohexyl acetate 363.06
    tetrabutyl urea 237.0
    diisobutyl methanol 150.91
    2-phenylethanol 470.41
    styrene 498.04
    dioctyl adipate 292.64
    dimethyl sulfate 1173.61
    ethyl butyrate 605.58
    methyl lactate 510.06
    butyl lactate 342.18
    diethyl carbonate 356.5
    propanediol butyl ether 479.27
    triethyl orthoformate 316.39
    p-tert-butyltoluene 152.62
    methyl 4-tert-butylbenzoate 379.03
    morpholine 2428.6
    tert-butylamine 326.9
    n-dodecanol 65.92
    dimethoxymethane 1584.05
    ethylene carbonate 982.18
    cyrene 411.65
    2-ethoxyethyl acetate 899.26
    2-ethylhexyl acetate 581.59
    1,2,4-trichlorobenzene 1266.37
    4-methylpyridine 2251.63
    dibutyl ether 333.37
    2,6-dimethyl-4-heptanol 150.91
    DEF 1671.1
    dimethyl isosorbide 918.34
    tetrachloroethylene 2045.04
    eugenol 381.08
    triacetin 636.75
    span 80 357.62
    1,4-butanediol 204.41
    1,1-dichloroethane 2296.43
    2-methyl-1-pentanol 315.53
    methyl formate 1458.57
    2-methyl-1-butanol 493.26
    n-decane 15.36
    butyronitrile 870.34
    3,7-dimethyl-1-octanol 202.16
    1-chlorooctane 136.28
    1-chlorotetradecane 41.41
    n-nonane 15.57
    undecane 10.99
    tert-butylcyclohexane 44.91
    cyclooctane 31.88
    cyclopentanol 837.99
    tetrahydropyran 1923.03
    tert-amyl methyl ether 504.49
    2,5,8-trioxanonane 870.07
    1-hexene 254.68
    2-isopropoxyethanol 466.91
    2,2,2-trifluoroethanol 350.16
    methyl butyrate 1056.66

    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
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.13%