5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    877-60-1

    Molecular formula
    C11H18O

    SMILES
    CC(=CC=O)CCC1CC1(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.02%
    Floral 50.76%
    Sweet 48.66%
    Dry 42.91%
    Violet 40.2%
    Orris 39.94%
    Citrus 38.88%
    Powdery 38.73%
    Waxy 38.69%
    Amber 33.22%

     

    Flavor
    Floral 66.38%
    Sweet 57.86%
    Woody 57.76%
    Herbal 39.34%
    Citrus 37.75%
    Fruity 37.31%
    Waxy 35.43%
    Rose 33.96%
    Violet 33.82%
    Green 33.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.28 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 75.91 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • DTXSID701243173
    • 5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal
    • 877-60-1
    • Acitral
    • (+-)-trans-and cis-5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal (FIFH)
    • (+-)-trans-and cis-5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal [FIFH]
    • RefChem:529106
    • OO42EX51SR
    • FEMA No. 4105
    • DTXCID001674050
    • 2-Pentenal, 5-(2,2-dimethylcyclopropyl)-3-methyl-
    • (+-) (E,Z)-5-(2,2-DIMETHYL CYCLOPROPYL)-3-METHYL-2-PENTENAL
    • (+-) (E,Z)-5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYL-2-PENTENAL
    • (E,Z)-5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYL-2-PENTENAL, (+-)-
    • (+-)-TRANS-AND CIS-5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYL-2-PENTENAL
    • (+-)-TRANS-AND CIS-5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYL-2-PENTENAL [FHFI]
    • 618-064-9
    • SCHEMBL18338905
    • 5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYLPENT-2-ENAL
    • 877-60-1

  • Applications

    5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal (CAS 877-60-1) is primarily used as an aroma chemical and fragrance intermediate in perfumery, providing aldehydic characteristics and serving as a precursor for more complex fragrance molecules. It may also act as an odorant in cosmetics and personal care products, as well as in household and cleaning formulations to impart or adjust scent. In addition, it can be evaluated as a flavor precursor in flavor chemistry and as a specialty intermediate in industrial manufacturing, coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1374.42
    methanol 799.14
    isopropanol 1067.4
    water 0.59
    ethyl acetate 847.45
    n-propanol 932.4
    acetone 720.61
    n-butanol 856.46
    acetonitrile 635.07
    DMF 402.1
    toluene 299.23
    isobutanol 591.94
    1,4-dioxane 1203.05
    methyl acetate 642.97
    THF 1541.88
    2-butanone 750.04
    n-pentanol 498.0
    sec-butanol 699.47
    n-hexane 83.52
    ethylene glycol 173.5
    NMP 222.44
    cyclohexane 122.84
    DMSO 317.45
    n-butyl acetate 601.67
    n-octanol 204.32
    chloroform 1296.73
    n-propyl acetate 445.39
    acetic acid 480.17
    dichloromethane 877.01
    cyclohexanone 607.38
    propylene glycol 447.6
    isopropyl acetate 533.49
    DMAc 333.48
    2-ethoxyethanol 656.96
    isopentanol 672.7
    n-heptane 58.74
    ethyl formate 342.86
    1,2-dichloroethane 522.95
    n-hexanol 727.38
    2-methoxyethanol 1039.43
    isobutyl acetate 330.12
    tetrachloromethane 172.09
    n-pentyl acetate 230.13
    transcutol 2046.42
    n-heptanol 225.82
    ethylbenzene 188.43
    MIBK 418.6
    2-propoxyethanol 990.39
    tert-butanol 978.64
    MTBE 838.78
    2-butoxyethanol 421.8
    propionic acid 433.47
    o-xylene 170.31
    formic acid 154.12
    diethyl ether 869.19
    m-xylene 225.63
    p-xylene 223.99
    chlorobenzene 323.9
    dimethyl carbonate 151.91
    n-octane 21.28
    formamide 226.16
    cyclopentanone 581.93
    2-pentanone 622.96
    anisole 406.05
    cyclopentyl methyl ether 548.21
    gamma-butyrolactone 549.04
    1-methoxy-2-propanol 971.11
    pyridine 691.24
    3-pentanone 357.26
    furfural 474.07
    n-dodecane 16.24
    diethylene glycol 569.63
    diisopropyl ether 275.38
    tert-amyl alcohol 610.47
    acetylacetone 489.97
    n-hexadecane 18.3
    acetophenone 287.55
    methyl propionate 466.11
    isopentyl acetate 549.53
    trichloroethylene 906.29
    n-nonanol 175.87
    cyclohexanol 494.12
    benzyl alcohol 301.25
    2-ethylhexanol 331.88
    isooctanol 190.87
    dipropyl ether 391.26
    1,2-dichlorobenzene 259.8
    ethyl lactate 212.8
    propylene carbonate 379.35
    n-methylformamide 298.83
    2-pentanol 580.27
    n-pentane 88.89
    1-propoxy-2-propanol 729.72
    1-methoxy-2-propyl acetate 639.41
    2-(2-methoxypropoxy) propanol 402.51
    mesitylene 154.51
    ε-caprolactone 536.53
    p-cymene 129.66
    epichlorohydrin 844.61
    1,1,1-trichloroethane 575.05
    2-aminoethanol 451.64
    morpholine-4-carbaldehyde 508.53
    sulfolane 338.71
    2,2,4-trimethylpentane 48.11
    2-methyltetrahydrofuran 1006.25
    n-hexyl acetate 346.66
    isooctane 58.27
    2-(2-butoxyethoxy)ethanol 586.14
    sec-butyl acetate 373.7
    tert-butyl acetate 525.12
    decalin 59.77
    glycerin 349.86
    diglyme 920.7
    acrylic acid 283.54
    isopropyl myristate 141.2
    n-butyric acid 671.23
    acetyl acetate 337.78
    di(2-ethylhexyl) phthalate 126.32
    ethyl propionate 382.99
    nitromethane 555.78
    1,2-diethoxyethane 687.31
    benzonitrile 347.46
    trioctyl phosphate 86.12
    1-bromopropane 460.6
    gamma-valerolactone 792.1
    n-decanol 123.86
    triethyl phosphate 147.32
    4-methyl-2-pentanol 371.14
    propionitrile 561.53
    vinylene carbonate 323.4
    1,1,2-trichlorotrifluoroethane 512.11
    DMS 273.98
    cumene 135.56
    2-octanol 141.9
    2-hexanone 452.83
    octyl acetate 160.34
    limonene 173.43
    1,2-dimethoxyethane 836.12
    ethyl orthosilicate 155.46
    tributyl phosphate 118.5
    diacetone alcohol 534.67
    N,N-dimethylaniline 219.77
    acrylonitrile 474.97
    aniline 404.87
    1,3-propanediol 633.07
    bromobenzene 334.53
    dibromomethane 638.03
    1,1,2,2-tetrachloroethane 772.73
    2-methyl-cyclohexyl acetate 271.66
    tetrabutyl urea 127.99
    diisobutyl methanol 213.21
    2-phenylethanol 402.18
    styrene 215.65
    dioctyl adipate 179.06
    dimethyl sulfate 134.94
    ethyl butyrate 386.47
    methyl lactate 243.95
    butyl lactate 223.05
    diethyl carbonate 257.97
    propanediol butyl ether 426.16
    triethyl orthoformate 269.94
    p-tert-butyltoluene 134.18
    methyl 4-tert-butylbenzoate 227.66
    morpholine 1483.29
    tert-butylamine 677.41
    n-dodecanol 93.37
    dimethoxymethane 481.55
    ethylene carbonate 303.67
    cyrene 238.9
    2-ethoxyethyl acetate 400.68
    2-ethylhexyl acetate 387.07
    1,2,4-trichlorobenzene 301.44
    4-methylpyridine 598.59
    dibutyl ether 264.33
    2,6-dimethyl-4-heptanol 213.21
    DEF 395.52
    dimethyl isosorbide 497.6
    tetrachloroethylene 451.1
    eugenol 230.81
    triacetin 321.17
    span 80 317.14
    1,4-butanediol 220.52
    1,1-dichloroethane 740.54
    2-methyl-1-pentanol 407.1
    methyl formate 196.1
    2-methyl-1-butanol 516.21
    n-decane 28.13
    butyronitrile 654.06
    3,7-dimethyl-1-octanol 250.37
    1-chlorooctane 117.81
    1-chlorotetradecane 46.94
    n-nonane 26.72
    undecane 20.38
    tert-butylcyclohexane 65.38
    cyclooctane 38.93
    cyclopentanol 454.25
    tetrahydropyran 1249.76
    tert-amyl methyl ether 435.28
    2,5,8-trioxanonane 536.08
    1-hexene 315.59
    2-isopropoxyethanol 514.84
    2,2,2-trifluoroethanol 133.22
    methyl butyrate 421.05

    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