Precyclemone B

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  • Identifiers

    CAS number
    52474-60-9

    Molecular formula
    C14H22O

    SMILES
    CC(=CCCC1=CCCC(C1)(C)C=O)C

  • Odor profile

    Fragrance
    Citrus 66.25%
    Aldehydic 65.08%
    Fresh 53.7%
    Ozone 51.32%
    Floral 45.0%
    Herbal 41.58%
    Clean 37.84%
    Lemon 37.6%
    Green 37.56%
    Muguet 35.74%

     

    Flavor
    Floral 45.54%
    Spicy 42.85%
    Woody 40.16%
    Herbal 40.04%
    Fruity 38.94%
    Fresh 38.46%
    Green 35.56%
    Citrus 35.46%
    Wood 32.5%
    Spice 29.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.6 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 122.62 ˚C est.

  • Synonyms

    • Precyclemone B
    • 52474-60-9
    • Myrmac aldehyde
    • 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-penten-1-yl)-
    • J28HO9G580
    • EINECS 257-941-7
    • 1-Methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
    • UNII-J28HO9G580
    • DTXSID20866266
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-pentenyl)-
    • 1-methyl-3-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxaldehyde
    • 3-CYCLOHEXENE-1-CARBOXALDEHYDE, 1-METHYL-3-(4-METHYL-3-PENTEN-1-YL)
    • PrecyclemoneB
    • 1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
    • SCHEMBL754684
    • DTXCID60814569
    • MBVBLQFHVRGNLW-UHFFFAOYSA-N
    • 1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
    • CS-0358205
    • NS00012923
    • 257-941-7

  • Applications

    Precyclemone B (CAS 52474-60-9) is a synthetic compound used primarily as an odorant and/or fragrance intermediate. Practical applications include: as a component in perfumes and fragrance products; as a fragrance ingredient or aroma additive in cosmetics and personal care; adding aroma to household and cleaning products; used in coatings, inks, and adhesives to impart or stabilize aroma; and as an intermediate in the synthesis of related fragrance chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 605.6
    methanol 376.72
    isopropanol 473.12
    water 0.09
    ethyl acetate 921.96
    n-propanol 442.1
    acetone 393.06
    n-butanol 510.0
    acetonitrile 293.18
    DMF 274.5
    toluene 435.03
    isobutanol 286.09
    1,4-dioxane 943.81
    methyl acetate 487.2
    THF 976.8
    2-butanone 554.22
    n-pentanol 295.35
    sec-butanol 363.36
    n-hexane 98.04
    ethylene glycol 27.32
    NMP 184.58
    cyclohexane 116.85
    DMSO 154.05
    n-butyl acetate 756.47
    n-octanol 164.15
    chloroform 1126.72
    n-propyl acetate 448.65
    acetic acid 214.81
    dichloromethane 832.27
    cyclohexanone 539.65
    propylene glycol 81.01
    isopropyl acetate 629.42
    DMAc 327.63
    2-ethoxyethanol 370.15
    isopentanol 461.47
    n-heptane 69.18
    ethyl formate 275.09
    1,2-dichloroethane 569.28
    n-hexanol 556.99
    2-methoxyethanol 548.64
    isobutyl acetate 348.38
    tetrachloromethane 140.77
    n-pentyl acetate 294.65
    transcutol 2180.99
    n-heptanol 191.77
    ethylbenzene 231.87
    MIBK 406.61
    2-propoxyethanol 677.47
    tert-butanol 575.88
    MTBE 761.97
    2-butoxyethanol 334.92
    propionic acid 181.08
    o-xylene 226.42
    formic acid 48.0
    diethyl ether 924.8
    m-xylene 317.15
    p-xylene 247.28
    chlorobenzene 344.03
    dimethyl carbonate 120.44
    n-octane 27.94
    formamide 73.89
    cyclopentanone 407.82
    2-pentanone 558.91
    anisole 391.92
    cyclopentyl methyl ether 517.59
    gamma-butyrolactone 390.37
    1-methoxy-2-propanol 515.83
    pyridine 545.84
    3-pentanone 368.8
    furfural 385.23
    n-dodecane 18.38
    diethylene glycol 277.42
    diisopropyl ether 313.28
    tert-amyl alcohol 386.6
    acetylacetone 456.46
    n-hexadecane 21.3
    acetophenone 296.2
    methyl propionate 393.29
    isopentyl acetate 679.39
    trichloroethylene 980.01
    n-nonanol 154.93
    cyclohexanol 315.61
    benzyl alcohol 237.18
    2-ethylhexanol 326.58
    isooctanol 170.49
    dipropyl ether 491.31
    1,2-dichlorobenzene 302.37
    ethyl lactate 147.78
    propylene carbonate 303.87
    n-methylformamide 135.18
    2-pentanol 389.49
    n-pentane 89.62
    1-propoxy-2-propanol 613.26
    1-methoxy-2-propyl acetate 643.3
    2-(2-methoxypropoxy) propanol 367.99
    mesitylene 201.32
    ε-caprolactone 518.01
    p-cymene 158.04
    epichlorohydrin 673.81
    1,1,1-trichloroethane 567.09
    2-aminoethanol 118.93
    morpholine-4-carbaldehyde 436.04
    sulfolane 258.08
    2,2,4-trimethylpentane 46.94
    2-methyltetrahydrofuran 740.19
    n-hexyl acetate 400.96
    isooctane 54.7
    2-(2-butoxyethoxy)ethanol 549.92
    sec-butyl acetate 418.11
    tert-butyl acetate 587.12
    decalin 68.81
    glycerin 100.62
    diglyme 910.15
    acrylic acid 112.02
    isopropyl myristate 172.46
    n-butyric acid 486.64
    acetyl acetate 381.81
    di(2-ethylhexyl) phthalate 136.03
    ethyl propionate 391.38
    nitromethane 279.95
    1,2-diethoxyethane 934.32
    benzonitrile 298.03
    trioctyl phosphate 90.38
    1-bromopropane 510.26
    gamma-valerolactone 609.85
    n-decanol 115.59
    triethyl phosphate 156.73
    4-methyl-2-pentanol 265.69
    propionitrile 352.64
    vinylene carbonate 275.45
    1,1,2-trichlorotrifluoroethane 302.23
    DMS 272.26
    cumene 169.42
    2-octanol 121.89
    2-hexanone 385.2
    octyl acetate 183.92
    limonene 216.17
    1,2-dimethoxyethane 641.14
    ethyl orthosilicate 176.16
    tributyl phosphate 131.17
    diacetone alcohol 437.2
    N,N-dimethylaniline 243.3
    acrylonitrile 276.13
    aniline 334.31
    1,3-propanediol 257.22
    bromobenzene 390.23
    dibromomethane 607.92
    1,1,2,2-tetrachloroethane 750.34
    2-methyl-cyclohexyl acetate 310.85
    tetrabutyl urea 141.66
    diisobutyl methanol 211.47
    2-phenylethanol 325.66
    styrene 264.44
    dioctyl adipate 211.1
    dimethyl sulfate 104.2
    ethyl butyrate 491.14
    methyl lactate 128.09
    butyl lactate 214.67
    diethyl carbonate 281.54
    propanediol butyl ether 264.62
    triethyl orthoformate 300.02
    p-tert-butyltoluene 162.1
    methyl 4-tert-butylbenzoate 270.14
    morpholine 1034.91
    tert-butylamine 432.47
    n-dodecanol 90.35
    dimethoxymethane 419.0
    ethylene carbonate 254.29
    cyrene 198.7
    2-ethoxyethyl acetate 475.04
    2-ethylhexyl acetate 504.68
    1,2,4-trichlorobenzene 320.41
    4-methylpyridine 609.16
    dibutyl ether 344.64
    2,6-dimethyl-4-heptanol 211.47
    DEF 454.62
    dimethyl isosorbide 529.89
    tetrachloroethylene 430.96
    eugenol 247.88
    triacetin 330.01
    span 80 281.01
    1,4-butanediol 79.55
    1,1-dichloroethane 637.76
    2-methyl-1-pentanol 296.74
    methyl formate 95.38
    2-methyl-1-butanol 345.38
    n-decane 35.37
    butyronitrile 530.4
    3,7-dimethyl-1-octanol 234.83
    1-chlorooctane 143.27
    1-chlorotetradecane 54.73
    n-nonane 35.02
    undecane 24.39
    tert-butylcyclohexane 73.19
    cyclooctane 48.04
    cyclopentanol 198.49
    tetrahydropyran 998.79
    tert-amyl methyl ether 450.34
    2,5,8-trioxanonane 549.5
    1-hexene 326.78
    2-isopropoxyethanol 319.62
    2,2,2-trifluoroethanol 53.25
    methyl butyrate 476.28

    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