3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    37677-14-8

    Molecular formula
    C13H20O

    SMILES
    CC(=CCCC1=CCC(CC1)C=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Aldehydic 71.28%
    Floral 68.44%
    Citrus 65.39%
    Fresh 61.54%
    Ozone 53.98%
    Fruity 42.15%
    Muguet 41.89%
    Clean 41.32%
    Green 37.78%
    Lemon 36.76%

     

    Flavor
    Herbal 55.15%
    Green 52.12%
    Fresh 51.69%
    Fatty 49.48%
    Spicy 48.29%
    Spice 40.12%
    Floral 34.75%
    Oily 34.51%
    Citrus 33.67%
    Fat 31.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.44 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 228.00 °C. @ 760.00 mm Hg

    Flash point

    • 118.43 ˚C est.

  • Synonyms

    • Myrac aldehyde
    • 37677-14-8
    • 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-
    • para-Myrac aldehyde
    • Isohexenyl cyclohexenyl carboxaldehyde
    • 4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
    • 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
    • 1-Formyl-4-isohexenyl-4-cyclohexene
    • 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
    • Myrac aldehyde 2
    • EINECS 253-617-4
    • 1-Formyl-4-ixohexenyl-4-cyclohexene
    • 4-(4-Methyl-3-penten-1-yl)-3-cyclohexen-1-carboxaldehyde
    • 4-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde
    • DTXSID4052051
    • 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
    • 4-(4-Methylpent-3-enyl)cyclohex-3-ene-1-carboxaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 4-(5-methyl-3-penten-1-yl)-
    • 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbaldehyde
    • Emfetal
    • p-Myrac aldehyde
    • MIRCENAL
    • SCHEMBL214415
    • DTXCID5030618
    • CHEBI:192311
    • BCP29789
    • AKOS006230340
    • DA-42604
    • LS-14240
    • ISOHEXENYL CYCLOPENTENYL CARBALDEHYDE
    • CS-0199114
    • NS00012703
    • F71271
    • 4-(4-Methyl-3-penten-1-yl)-3-cyclohexen1- carboxaldehyde
    • 253-617-4
    • Isohexenyl cyclohexenyl carboxaldehyde pound>>4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

  • Applications

    3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)- (CAS 37677-14-8) is primarily used as a fragrance intermediate and odorant in perfumery, where it serves as a building block for aroma chemicals and can act as a mild fixative in formulations; it is also encountered in cosmetics/personal care and household products as a fragrance ingredient, and may be utilized in industrial manufacturing as an aroma-chemical building block for the synthesis of more complex notes, including use in scent-emitting coatings, inks, and cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 779.93
    methanol 530.3
    isopropanol 587.9
    water 0.09
    ethyl acetate 1529.96
    n-propanol 585.63
    acetone 637.05
    n-butanol 634.21
    acetonitrile 686.2
    DMF 273.38
    toluene 715.63
    isobutanol 330.87
    1,4-dioxane 1620.74
    methyl acetate 703.65
    THF 1296.34
    2-butanone 856.87
    n-pentanol 379.38
    sec-butanol 464.54
    n-hexane 132.08
    ethylene glycol 33.67
    NMP 187.52
    cyclohexane 208.11
    DMSO 341.66
    n-butyl acetate 900.09
    n-octanol 112.84
    chloroform 1922.1
    n-propyl acetate 637.57
    acetic acid 319.31
    dichloromethane 1588.51
    cyclohexanone 789.13
    propylene glycol 95.28
    isopropyl acetate 812.28
    DMAc 326.48
    2-ethoxyethanol 474.33
    isopentanol 536.68
    n-heptane 61.82
    ethyl formate 368.85
    1,2-dichloroethane 1109.55
    n-hexanol 484.17
    2-methoxyethanol 671.47
    isobutyl acetate 382.26
    tetrachloromethane 229.27
    n-pentyl acetate 310.59
    transcutol 3237.13
    n-heptanol 139.46
    ethylbenzene 272.94
    MIBK 477.96
    2-propoxyethanol 706.51
    tert-butanol 661.4
    MTBE 1024.65
    2-butoxyethanol 301.04
    propionic acid 269.85
    o-xylene 274.1
    formic acid 65.3
    diethyl ether 1693.53
    m-xylene 386.78
    p-xylene 283.68
    chlorobenzene 503.1
    dimethyl carbonate 132.36
    n-octane 17.46
    formamide 120.74
    cyclopentanone 532.64
    2-pentanone 824.36
    anisole 492.49
    cyclopentyl methyl ether 660.17
    gamma-butyrolactone 526.17
    1-methoxy-2-propanol 552.55
    pyridine 1130.33
    3-pentanone 536.45
    furfural 554.68
    n-dodecane 10.58
    diethylene glycol 285.11
    diisopropyl ether 369.55
    tert-amyl alcohol 471.13
    acetylacetone 668.78
    n-hexadecane 12.65
    acetophenone 356.28
    methyl propionate 529.6
    isopentyl acetate 760.16
    trichloroethylene 1763.36
    n-nonanol 109.95
    cyclohexanol 416.62
    benzyl alcohol 302.74
    2-ethylhexanol 293.54
    isooctanol 130.09
    dipropyl ether 614.68
    1,2-dichlorobenzene 403.23
    ethyl lactate 146.6
    propylene carbonate 383.64
    n-methylformamide 177.32
    2-pentanol 474.44
    n-pentane 109.62
    1-propoxy-2-propanol 591.48
    1-methoxy-2-propyl acetate 770.54
    2-(2-methoxypropoxy) propanol 376.25
    mesitylene 213.94
    ε-caprolactone 692.65
    p-cymene 141.32
    epichlorohydrin 1026.79
    1,1,1-trichloroethane 962.9
    2-aminoethanol 134.41
    morpholine-4-carbaldehyde 499.02
    sulfolane 368.92
    2,2,4-trimethylpentane 44.97
    2-methyltetrahydrofuran 1074.77
    n-hexyl acetate 370.95
    isooctane 46.21
    2-(2-butoxyethoxy)ethanol 568.18
    sec-butyl acetate 483.34
    tert-butyl acetate 697.73
    decalin 78.21
    glycerin 109.96
    diglyme 1111.32
    acrylic acid 166.98
    isopropyl myristate 157.4
    n-butyric acid 662.48
    acetyl acetate 549.17
    di(2-ethylhexyl) phthalate 129.21
    ethyl propionate 502.04
    nitromethane 488.86
    1,2-diethoxyethane 1365.52
    benzonitrile 425.48
    trioctyl phosphate 75.89
    1-bromopropane 870.44
    gamma-valerolactone 814.56
    n-decanol 77.73
    triethyl phosphate 176.17
    4-methyl-2-pentanol 247.66
    propionitrile 595.67
    vinylene carbonate 344.03
    1,1,2-trichlorotrifluoroethane 433.77
    DMS 303.17
    cumene 159.65
    2-octanol 85.13
    2-hexanone 562.68
    octyl acetate 160.41
    limonene 213.33
    1,2-dimethoxyethane 981.95
    ethyl orthosilicate 193.26
    tributyl phosphate 120.62
    diacetone alcohol 471.84
    N,N-dimethylaniline 253.45
    acrylonitrile 470.94
    aniline 504.79
    1,3-propanediol 290.12
    bromobenzene 576.31
    dibromomethane 1168.64
    1,1,2,2-tetrachloroethane 1307.11
    2-methyl-cyclohexyl acetate 317.07
    tetrabutyl urea 130.53
    diisobutyl methanol 196.33
    2-phenylethanol 351.47
    styrene 363.46
    dioctyl adipate 214.2
    dimethyl sulfate 126.25
    ethyl butyrate 613.14
    methyl lactate 133.32
    butyl lactate 203.08
    diethyl carbonate 344.04
    propanediol butyl ether 226.41
    triethyl orthoformate 368.02
    p-tert-butyltoluene 142.35
    methyl 4-tert-butylbenzoate 255.13
    morpholine 1691.38
    tert-butylamine 506.34
    n-dodecanol 58.41
    dimethoxymethane 491.08
    ethylene carbonate 320.98
    cyrene 195.59
    2-ethoxyethyl acetate 553.51
    2-ethylhexyl acetate 544.04
    1,2,4-trichlorobenzene 453.16
    4-methylpyridine 973.96
    dibutyl ether 387.81
    2,6-dimethyl-4-heptanol 196.33
    DEF 611.64
    dimethyl isosorbide 557.02
    tetrachloroethylene 796.35
    eugenol 229.18
    triacetin 355.78
    span 80 270.42
    1,4-butanediol 83.1
    1,1-dichloroethane 1098.33
    2-methyl-1-pentanol 334.13
    methyl formate 111.99
    2-methyl-1-butanol 414.74
    n-decane 21.52
    butyronitrile 768.63
    3,7-dimethyl-1-octanol 178.38
    1-chlorooctane 109.13
    1-chlorotetradecane 39.19
    n-nonane 21.01
    undecane 14.02
    tert-butylcyclohexane 69.1
    cyclooctane 61.6
    cyclopentanol 233.18
    tetrahydropyran 1757.01
    tert-amyl methyl ether 546.99
    2,5,8-trioxanonane 662.96
    1-hexene 464.7
    2-isopropoxyethanol 361.78
    2,2,2-trifluoroethanol 67.91
    methyl butyrate 636.43

    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