2-Methyl-2-(4-methyl-3-pentenyl)cyclopropanecarbaldehyde, trans-

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  • Identifiers

    CAS number
    97231-35-1

    Molecular formula
    C11H18O

    SMILES
    CC(=CCC[C@@]1(C[C@H]1C=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 63.83%
    Floral 58.88%
    Aldehydic 58.02%
    Fresh 52.24%
    Green 46.51%
    Waxy 42.33%
    Ozone 41.78%
    Woody 41.24%
    Sweet 37.99%
    Herbal 37.13%

     

    Flavor
    Floral 59.94%
    Sweet 46.41%
    Green 46.21%
    Woody 45.91%
    Citrus 43.36%
    Herbal 41.26%
    Fresh 41.19%
    Waxy 40.62%
    Rose 35.84%
    Fruity 32.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.76 (neutral)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 81.61 ˚C est.

  • Synonyms

    • FEMA No. 4393, trans-
    • UNII-74543812PN
    • 74543812PN
    • Cyclopropanecarboxaldehyde, 2-methyl-2-(4-methyl-3-penten-1-yl)-, (1R,2R)-rel-
    • 2-Methyl-2-(4-methyl-3-pentenyl)cyclopropanecarbaldehyde, trans-
    • Cyclopropanecarboxaldehyde, 2-methyl-2-(4-methyl-3-pentenyl)-, trans-
    • 2-Methyl-2-(4-methyl-3-pentenyl)-, trans-(+-)-
    • (1R,2R)-2-Methyl-2-(4-methylpent-3-enyl)cyclopropanecarbaldehyde, trans-
    • 97231-35-1
    • RefChem:197844
    • SCHEMBL13409662
    • Q27266245
    • 2-METHYL-2-(4-METHYL-3-PENTENYL)-, TRANS-(+/-)-
    • trans-2-methyl-2-(4-methyl-3-pentenyl)cyclopropanecarbaldehyde
    • 97231-35-1

  • Applications

    2-Methyl-2-(4-methyl-3-pentenyl)cyclopropanecarbaldehyde, trans- (CAS 97231-35-1) is used as an aroma chemical in perfumery, contributing terpene-like notes; it is commonly evaluated as an intermediate in the synthesis of terpenoid-derived fragrance compounds for cosmetics and personal care; it may be incorporated as a fragrance component in household products such as cleaners and air fresheners; it may be explored for flavor applications as a specialty aroma or flavor intermediate; in broader industrial manufacturing, it serves as a synthetic building block for fragrance intermediates and can function as an odorant additive in coatings and inks; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1041.3
    methanol 744.1
    isopropanol 696.62
    water 0.82
    ethyl acetate 476.88
    n-propanol 615.71
    acetone 342.95
    n-butanol 636.69
    acetonitrile 399.81
    DMF 202.77
    toluene 234.2
    isobutanol 374.93
    1,4-dioxane 984.29
    methyl acetate 339.51
    THF 970.42
    2-butanone 359.31
    n-pentanol 363.77
    sec-butanol 455.69
    n-hexane 62.62
    ethylene glycol 119.2
    NMP 137.87
    cyclohexane 112.09
    DMSO 167.91
    n-butyl acetate 389.18
    n-octanol 162.52
    chloroform 880.32
    n-propyl acetate 265.21
    acetic acid 396.9
    dichloromethane 573.76
    cyclohexanone 369.38
    propylene glycol 254.74
    isopropyl acetate 310.11
    DMAc 200.74
    2-ethoxyethanol 471.02
    isopentanol 472.18
    n-heptane 55.5
    ethyl formate 235.32
    1,2-dichloroethane 311.48
    n-hexanol 527.9
    2-methoxyethanol 749.66
    isobutyl acetate 209.09
    tetrachloromethane 130.39
    n-pentyl acetate 161.88
    transcutol 1562.23
    n-heptanol 180.46
    ethylbenzene 143.35
    MIBK 237.02
    2-propoxyethanol 663.98
    tert-butanol 648.58
    MTBE 499.04
    2-butoxyethanol 316.67
    propionic acid 260.72
    o-xylene 130.78
    formic acid 140.51
    diethyl ether 546.65
    m-xylene 166.03
    p-xylene 179.2
    chlorobenzene 228.46
    dimethyl carbonate 83.14
    n-octane 19.2
    formamide 184.64
    cyclopentanone 292.2
    2-pentanone 319.74
    anisole 279.79
    cyclopentyl methyl ether 328.27
    gamma-butyrolactone 299.47
    1-methoxy-2-propanol 602.15
    pyridine 506.9
    3-pentanone 188.51
    furfural 327.64
    n-dodecane 15.48
    diethylene glycol 418.11
    diisopropyl ether 170.9
    tert-amyl alcohol 412.36
    acetylacetone 274.12
    n-hexadecane 17.48
    acetophenone 201.34
    methyl propionate 234.05
    isopentyl acetate 370.75
    trichloroethylene 557.87
    n-nonanol 144.25
    cyclohexanol 355.09
    benzyl alcohol 229.79
    2-ethylhexanol 257.27
    isooctanol 142.67
    dipropyl ether 277.95
    1,2-dichlorobenzene 185.77
    ethyl lactate 132.82
    propylene carbonate 239.24
    n-methylformamide 174.27
    2-pentanol 392.13
    n-pentane 73.04
    1-propoxy-2-propanol 492.26
    1-methoxy-2-propyl acetate 411.71
    2-(2-methoxypropoxy) propanol 304.59
    mesitylene 111.88
    ε-caprolactone 348.05
    p-cymene 106.84
    epichlorohydrin 473.7
    1,1,1-trichloroethane 343.94
    2-aminoethanol 309.83
    morpholine-4-carbaldehyde 360.12
    sulfolane 189.33
    2,2,4-trimethylpentane 37.08
    2-methyltetrahydrofuran 610.89
    n-hexyl acetate 247.98
    isooctane 42.33
    2-(2-butoxyethoxy)ethanol 472.67
    sec-butyl acetate 226.82
    tert-butyl acetate 304.77
    decalin 50.14
    glycerin 236.68
    diglyme 696.59
    acrylic acid 178.77
    isopropyl myristate 107.17
    n-butyric acid 460.44
    acetyl acetate 231.59
    di(2-ethylhexyl) phthalate 105.09
    ethyl propionate 226.48
    nitromethane 339.29
    1,2-diethoxyethane 507.71
    benzonitrile 267.75
    trioctyl phosphate 69.05
    1-bromopropane 291.66
    gamma-valerolactone 500.02
    n-decanol 101.52
    triethyl phosphate 109.29
    4-methyl-2-pentanol 246.58
    propionitrile 332.99
    vinylene carbonate 224.96
    1,1,2-trichlorotrifluoroethane 329.79
    DMS 179.46
    cumene 102.89
    2-octanol 109.0
    2-hexanone 263.84
    octyl acetate 122.63
    limonene 137.68
    1,2-dimethoxyethane 620.25
    ethyl orthosilicate 118.58
    tributyl phosphate 90.5
    diacetone alcohol 313.05
    N,N-dimethylaniline 161.93
    acrylonitrile 276.33
    aniline 288.84
    1,3-propanediol 467.46
    bromobenzene 229.79
    dibromomethane 445.78
    1,1,2,2-tetrachloroethane 463.51
    2-methyl-cyclohexyl acetate 212.72
    tetrabutyl urea 97.2
    diisobutyl methanol 160.61
    2-phenylethanol 308.56
    styrene 166.69
    dioctyl adipate 142.2
    dimethyl sulfate 68.91
    ethyl butyrate 265.98
    methyl lactate 136.16
    butyl lactate 156.58
    diethyl carbonate 192.44
    propanediol butyl ether 301.04
    triethyl orthoformate 210.73
    p-tert-butyltoluene 106.59
    methyl 4-tert-butylbenzoate 165.25
    morpholine 1125.84
    tert-butylamine 473.74
    n-dodecanol 77.66
    dimethoxymethane 302.99
    ethylene carbonate 209.84
    cyrene 175.07
    2-ethoxyethyl acetate 280.45
    2-ethylhexyl acetate 277.57
    1,2,4-trichlorobenzene 206.97
    4-methylpyridine 419.66
    dibutyl ether 197.77
    2,6-dimethyl-4-heptanol 160.61
    DEF 235.0
    dimethyl isosorbide 389.09
    tetrachloroethylene 301.04
    eugenol 174.77
    triacetin 223.82
    span 80 260.1
    1,4-butanediol 158.22
    1,1-dichloroethane 423.87
    2-methyl-1-pentanol 294.42
    methyl formate 115.23
    2-methyl-1-butanol 359.31
    n-decane 26.19
    butyronitrile 442.61
    3,7-dimethyl-1-octanol 192.12
    1-chlorooctane 90.88
    1-chlorotetradecane 39.5
    n-nonane 24.08
    undecane 19.33
    tert-butylcyclohexane 51.64
    cyclooctane 35.61
    cyclopentanol 276.86
    tetrahydropyran 879.56
    tert-amyl methyl ether 269.35
    2,5,8-trioxanonane 437.86
    1-hexene 205.33
    2-isopropoxyethanol 332.92
    2,2,2-trifluoroethanol 97.26
    methyl butyrate 259.01

    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