(S)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde

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  • Identifiers

    CAS number
    23727-15-3

    Molecular formula
    C10H16O

    SMILES
    CC1=CC[C@H](C1(C)C)CC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 73.34%
    Herbal 68.61%
    Green 67.81%
    Fresh 45.16%
    Citrus 44.92%
    Spicy 43.8%
    Aldehydic 38.19%
    Leafy 36.86%
    Pine 35.68%
    Dry 34.71%

     

    Flavor
    Woody 72.65%
    Green 69.85%
    Herbal 66.67%
    Spicy 37.56%
    Camphor 37.39%
    Minty 34.0%
    Fresh 32.77%
    Spice 32.35%
    Herb 31.94%
    Citrus 31.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.97 (neutral)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 83.5 ˚C est.

  • Synonyms

    • 23727-15-3
    • (S)-2,2,3-Trimethylcyclopent-3-ene-1-acetaldehyde
    • Campholenal
    • EINECS 245-846-3
    • EC 245-846-3
    • DTXSID801318191
    • 2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
    • 2-((1S)-2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
    • RefChem:407825
    • DTXCID501747979
    • 245-846-3
    • Campholenaldehyde
    • [(1s)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
    • (s)-2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
    • (S)-Campholenaldehyde
    • (S)-Campholenal
    • 5PWU9V4G4C
    • Campholenic aldehyde, (-)-
    • (-)-alpha-Campholenic aldehyde
    • (S)-(-)-Campholenic aldehyde
    • SCHEMBL16558598
    • (-)-(S)-alpha-Campholenic aldehyde
    • NS00006732
    • (1S)-2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde
    • 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (1S)-
    • 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (S)-(-)-
    • 23727-15-3

  • Applications

    (S)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde (CAS 23727-15-3) is used primarily as a chiral building block and intermediate in the synthesis of fragrance and flavor compounds, enabling enantioselective construction of aroma molecules. In real-world applications, it may be employed in perfumery/fragrance development, flavor chemistry, and cosmetics/personal care formulations as a stereochemically enriched precursor; it is also evaluated as an intermediate in pharmaceutical synthesis via asymmetric routes; and in industrial manufacturing as a specialty chemical building block; and in polymers/plastics as a potential precursor for chiral monomers or additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 683.03
    methanol 604.9
    isopropanol 594.9
    water 6.76
    ethyl acetate 1431.33
    n-propanol 600.53
    acetone 1383.85
    n-butanol 480.06
    acetonitrile 1318.96
    DMF 1437.61
    toluene 589.29
    isobutanol 412.59
    1,4-dioxane 2114.72
    methyl acetate 1481.86
    THF 2006.54
    2-butanone 1205.72
    n-pentanol 207.84
    sec-butanol 423.91
    n-hexane 30.64
    ethylene glycol 202.13
    NMP 816.77
    cyclohexane 91.33
    DMSO 849.41
    n-butyl acetate 559.63
    n-octanol 142.86
    chloroform 2509.15
    n-propyl acetate 436.91
    acetic acid 429.14
    dichloromethane 2172.15
    cyclohexanone 994.34
    propylene glycol 255.03
    isopropyl acetate 750.72
    DMAc 999.83
    2-ethoxyethanol 479.18
    isopentanol 390.98
    n-heptane 38.15
    ethyl formate 655.56
    1,2-dichloroethane 1460.87
    n-hexanol 349.69
    2-methoxyethanol 1013.86
    isobutyl acetate 257.91
    tetrachloromethane 425.74
    n-pentyl acetate 259.04
    transcutol 1689.7
    n-heptanol 154.06
    ethylbenzene 258.21
    MIBK 463.15
    2-propoxyethanol 739.05
    tert-butanol 703.14
    MTBE 734.57
    2-butoxyethanol 365.72
    propionic acid 582.53
    o-xylene 323.09
    formic acid 227.78
    diethyl ether 874.45
    m-xylene 371.75
    p-xylene 384.75
    chlorobenzene 778.87
    dimethyl carbonate 516.16
    n-octane 18.09
    formamide 538.33
    cyclopentanone 1425.32
    2-pentanone 823.42
    anisole 672.18
    cyclopentyl methyl ether 660.59
    gamma-butyrolactone 1604.97
    1-methoxy-2-propanol 798.27
    pyridine 1265.35
    3-pentanone 684.59
    furfural 1247.23
    n-dodecane 15.55
    diethylene glycol 541.75
    diisopropyl ether 245.27
    tert-amyl alcohol 447.89
    acetylacetone 1122.07
    n-hexadecane 18.31
    acetophenone 458.14
    methyl propionate 1011.0
    isopentyl acetate 466.2
    trichloroethylene 2411.49
    n-nonanol 137.04
    cyclohexanol 377.0
    benzyl alcohol 357.27
    2-ethylhexanol 194.75
    isooctanol 130.0
    dipropyl ether 309.39
    1,2-dichlorobenzene 668.22
    ethyl lactate 211.3
    propylene carbonate 763.03
    n-methylformamide 892.37
    2-pentanol 315.12
    n-pentane 48.09
    1-propoxy-2-propanol 479.96
    1-methoxy-2-propyl acetate 742.3
    2-(2-methoxypropoxy) propanol 369.47
    mesitylene 219.77
    ε-caprolactone 872.01
    p-cymene 159.63
    epichlorohydrin 1955.34
    1,1,1-trichloroethane 1528.92
    2-aminoethanol 383.75
    morpholine-4-carbaldehyde 1186.86
    sulfolane 1029.96
    2,2,4-trimethylpentane 29.13
    2-methyltetrahydrofuran 1157.07
    n-hexyl acetate 372.68
    isooctane 28.23
    2-(2-butoxyethoxy)ethanol 517.35
    sec-butyl acetate 331.18
    tert-butyl acetate 702.88
    decalin 48.15
    glycerin 299.26
    diglyme 1036.94
    acrylic acid 475.7
    isopropyl myristate 168.7
    n-butyric acid 632.36
    acetyl acetate 804.21
    di(2-ethylhexyl) phthalate 146.25
    ethyl propionate 522.28
    nitromethane 1534.76
    1,2-diethoxyethane 654.84
    benzonitrile 566.52
    trioctyl phosphate 99.46
    1-bromopropane 714.31
    gamma-valerolactone 1693.75
    n-decanol 106.89
    triethyl phosphate 183.02
    4-methyl-2-pentanol 213.51
    propionitrile 930.05
    vinylene carbonate 790.55
    1,1,2-trichlorotrifluoroethane 753.24
    DMS 536.22
    cumene 168.43
    2-octanol 100.89
    2-hexanone 344.13
    octyl acetate 198.86
    limonene 191.39
    1,2-dimethoxyethane 852.27
    ethyl orthosilicate 174.95
    tributyl phosphate 129.73
    diacetone alcohol 604.03
    N,N-dimethylaniline 335.04
    acrylonitrile 1097.99
    aniline 650.51
    1,3-propanediol 538.13
    bromobenzene 835.68
    dibromomethane 1279.71
    1,1,2,2-tetrachloroethane 1699.85
    2-methyl-cyclohexyl acetate 277.23
    tetrabutyl urea 147.24
    diisobutyl methanol 138.94
    2-phenylethanol 437.68
    styrene 324.13
    dioctyl adipate 226.8
    dimethyl sulfate 630.34
    ethyl butyrate 426.6
    methyl lactate 374.54
    butyl lactate 202.38
    diethyl carbonate 315.44
    propanediol butyl ether 264.37
    triethyl orthoformate 257.68
    p-tert-butyltoluene 165.41
    methyl 4-tert-butylbenzoate 380.2
    morpholine 1803.44
    tert-butylamine 418.08
    n-dodecanol 83.27
    dimethoxymethane 1046.77
    ethylene carbonate 673.84
    cyrene 304.89
    2-ethoxyethyl acetate 552.46
    2-ethylhexyl acetate 344.88
    1,2,4-trichlorobenzene 752.44
    4-methylpyridine 1143.28
    dibutyl ether 188.07
    2,6-dimethyl-4-heptanol 138.94
    DEF 727.2
    dimethyl isosorbide 729.8
    tetrachloroethylene 1064.92
    eugenol 350.56
    triacetin 398.55
    span 80 281.28
    1,4-butanediol 152.44
    1,1-dichloroethane 1637.42
    2-methyl-1-pentanol 189.07
    methyl formate 687.43
    2-methyl-1-butanol 325.29
    n-decane 24.6
    butyronitrile 695.39
    3,7-dimethyl-1-octanol 172.13
    1-chlorooctane 117.68
    1-chlorotetradecane 55.47
    n-nonane 21.75
    undecane 19.14
    tert-butylcyclohexane 43.35
    cyclooctane 32.85
    cyclopentanol 451.93
    tetrahydropyran 1326.73
    tert-amyl methyl ether 415.54
    2,5,8-trioxanonane 668.44
    1-hexene 124.11
    2-isopropoxyethanol 324.81
    2,2,2-trifluoroethanol 304.19
    methyl butyrate 552.23

    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