3-[(4R)-4-(propan-2-yl)cyclohex-1-en-1-yl]propanal

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  • Identifiers

    CAS number
    1378867-81-2

    Molecular formula
    C12H20O

    SMILES
    CC(C)[C@@H]1CCC(=CC1)CCC=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 77.43%
    Floral 75.09%
    Aldehydic 70.8%
    Fresh 56.47%
    Muguet 51.53%
    Lily 48.37%
    Citrus 46.87%
    Ozone 46.32%
    Waxy 37.4%
    Melon 34.36%

     

    Flavor
    Herbal 57.15%
    Green 54.98%
    Fatty 44.84%
    Fresh 44.38%
    Spicy 39.46%
    Oily 35.66%
    Spice 33.3%
    Waxy 29.24%
    Fat 29.05%
    Woody 27.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.62 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 106.85 ˚C est.

  • Synonyms

    • DTXSID501035912
    • 3-[(4R)-4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
    • 3-((4R)-4-(Propan-2-yl)cyclohex-1-en-1-yl)propanal
    • SCHEMBL14836190
    • DTXCID301520165
    • 3-[(4r)-4-isopropylcyclohexen-1-yl]propanal
    • 3-[(4R)-4-isopropylcyclohexen-1-yl]-propanal
    • EC 700-886-5
    • (4R)-4-(1-Methylethyl)-1-cyclohexene-1-propanal
    • 1378867-81-2
    • 700-886-5
    • Lilybelle

  • Applications

    For 3-[(4R)-4-(propan-2-yl)cyclohex-1-en-1-yl]propanal (CAS 1378867-81-2), this is a terpenoid-derived aldehyde that may function as a fragrance and aroma ingredient. In perfumery and personal-care formulations, it can contribute green-to-woody notes. Its aldehyde functionality and chiral center make it a potential intermediate for the synthesis of more complex terpenoid specialty chemicals. Additional applications include use as a fragrance additive in household and cleaning products, and it may serve as a building block in coatings, inks, or polymer formulations to impart specific aroma profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1991.23
    methanol 1202.04
    isopropanol 1751.39
    water 0.15
    ethyl acetate 2768.46
    n-propanol 1585.84
    acetone 2205.43
    n-butanol 1489.22
    acetonitrile 1597.37
    DMF 1025.21
    toluene 1044.87
    isobutanol 932.26
    1,4-dioxane 3341.45
    methyl acetate 1474.6
    THF 2974.75
    2-butanone 1924.06
    n-pentanol 660.61
    sec-butanol 944.71
    n-hexane 123.28
    ethylene glycol 102.28
    NMP 496.23
    cyclohexane 284.37
    DMSO 1005.28
    n-butyl acetate 1387.36
    n-octanol 163.76
    chloroform 3128.19
    n-propyl acetate 901.4
    acetic acid 560.34
    dichloromethane 2884.29
    cyclohexanone 1714.15
    propylene glycol 214.85
    isopropyl acetate 1351.76
    DMAc 614.65
    2-ethoxyethanol 827.58
    isopentanol 1107.15
    n-heptane 68.44
    ethyl formate 752.01
    1,2-dichloroethane 2178.06
    n-hexanol 892.67
    2-methoxyethanol 1689.69
    isobutyl acetate 491.2
    tetrachloromethane 413.5
    n-pentyl acetate 424.33
    transcutol 4210.91
    n-heptanol 203.66
    ethylbenzene 293.3
    MIBK 805.12
    2-propoxyethanol 1377.04
    tert-butanol 1640.85
    MTBE 1925.54
    2-butoxyethanol 474.24
    propionic acid 568.38
    o-xylene 357.43
    formic acid 112.06
    diethyl ether 3184.23
    m-xylene 530.16
    p-xylene 318.27
    chlorobenzene 832.16
    dimethyl carbonate 259.99
    n-octane 20.24
    formamide 244.86
    cyclopentanone 1536.28
    2-pentanone 1791.43
    anisole 601.34
    cyclopentyl methyl ether 1399.17
    gamma-butyrolactone 1336.56
    1-methoxy-2-propanol 1283.84
    pyridine 1940.83
    3-pentanone 1064.98
    furfural 974.89
    n-dodecane 12.69
    diethylene glycol 588.13
    diisopropyl ether 574.5
    tert-amyl alcohol 816.54
    acetylacetone 1260.92
    n-hexadecane 15.42
    acetophenone 410.74
    methyl propionate 1167.58
    isopentyl acetate 1056.05
    trichloroethylene 3032.25
    n-nonanol 148.22
    cyclohexanol 916.36
    benzyl alcohol 409.74
    2-ethylhexanol 406.92
    isooctanol 168.84
    dipropyl ether 862.48
    1,2-dichlorobenzene 594.28
    ethyl lactate 208.74
    propylene carbonate 679.84
    n-methylformamide 568.89
    2-pentanol 926.13
    n-pentane 154.63
    1-propoxy-2-propanol 1003.53
    1-methoxy-2-propyl acetate 1217.81
    2-(2-methoxypropoxy) propanol 444.05
    mesitylene 270.56
    ε-caprolactone 1272.76
    p-cymene 162.92
    epichlorohydrin 2272.23
    1,1,1-trichloroethane 1724.33
    2-aminoethanol 359.1
    morpholine-4-carbaldehyde 1032.3
    sulfolane 896.96
    2,2,4-trimethylpentane 47.23
    2-methyltetrahydrofuran 2408.35
    n-hexyl acetate 520.12
    isooctane 52.11
    2-(2-butoxyethoxy)ethanol 721.8
    sec-butyl acetate 601.04
    tert-butyl acetate 1090.25
    decalin 76.81
    glycerin 228.2
    diglyme 1497.23
    acrylic acid 322.8
    isopropyl myristate 185.76
    n-butyric acid 1359.9
    acetyl acetate 837.04
    di(2-ethylhexyl) phthalate 149.64
    ethyl propionate 723.94
    nitromethane 1026.18
    1,2-diethoxyethane 1888.47
    benzonitrile 631.21
    trioctyl phosphate 97.9
    1-bromopropane 1638.69
    gamma-valerolactone 1860.23
    n-decanol 106.17
    triethyl phosphate 198.05
    4-methyl-2-pentanol 403.08
    propionitrile 1280.35
    vinylene carbonate 577.62
    1,1,2-trichlorotrifluoroethane 812.28
    DMS 428.85
    cumene 162.7
    2-octanol 119.1
    2-hexanone 815.27
    octyl acetate 201.88
    limonene 268.05
    1,2-dimethoxyethane 1522.99
    ethyl orthosilicate 226.51
    tributyl phosphate 151.02
    diacetone alcohol 796.5
    N,N-dimethylaniline 281.7
    acrylonitrile 1045.07
    aniline 892.72
    1,3-propanediol 728.87
    bromobenzene 929.31
    dibromomethane 2064.56
    1,1,2,2-tetrachloroethane 2087.13
    2-methyl-cyclohexyl acetate 365.31
    tetrabutyl urea 158.3
    diisobutyl methanol 248.73
    2-phenylethanol 486.66
    styrene 415.4
    dioctyl adipate 254.48
    dimethyl sulfate 259.43
    ethyl butyrate 785.35
    methyl lactate 260.34
    butyl lactate 272.27
    diethyl carbonate 428.89
    propanediol butyl ether 338.45
    triethyl orthoformate 448.72
    p-tert-butyltoluene 168.11
    methyl 4-tert-butylbenzoate 301.1
    morpholine 3796.64
    tert-butylamine 1120.62
    n-dodecanol 79.83
    dimethoxymethane 1264.18
    ethylene carbonate 564.93
    cyrene 253.84
    2-ethoxyethyl acetate 796.36
    2-ethylhexyl acetate 709.55
    1,2,4-trichlorobenzene 662.49
    4-methylpyridine 1698.13
    dibutyl ether 473.31
    2,6-dimethyl-4-heptanol 248.73
    DEF 1214.32
    dimethyl isosorbide 695.58
    tetrachloroethylene 1275.59
    eugenol 272.48
    triacetin 444.27
    span 80 325.09
    1,4-butanediol 175.43
    1,1-dichloroethane 2302.65
    2-methyl-1-pentanol 458.29
    methyl formate 328.78
    2-methyl-1-butanol 808.95
    n-decane 26.21
    butyronitrile 1535.38
    3,7-dimethyl-1-octanol 224.87
    1-chlorooctane 142.94
    1-chlorotetradecane 48.86
    n-nonane 25.47
    undecane 17.21
    tert-butylcyclohexane 66.92
    cyclooctane 73.56
    cyclopentanol 694.69
    tetrahydropyran 3699.24
    tert-amyl methyl ether 835.46
    2,5,8-trioxanonane 798.97
    1-hexene 551.68
    2-isopropoxyethanol 561.41
    2,2,2-trifluoroethanol 131.49
    methyl butyrate 922.05

    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