3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-

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  • Identifiers

    CAS number
    15373-31-6

    Molecular formula
    C10H15N

    SMILES
    CC1=CCC(C1(C)C)CC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 53.58%
    Spicy 51.77%
    Citrus 43.98%
    Herbal 38.51%
    Dry 37.21%
    Green 31.58%
    Fresh 29.28%
    Amber 28.22%
    Ozone 27.54%
    Lemon 26.84%

     

    Flavor
    Woody 56.54%
    Herbal 33.95%
    Wood 31.6%
    Camphor 28.54%
    Spice 25.51%
    Bitter 24.17%
    Herb 23.06%
    Pine 22.25%
    Sandalwood 20.48%
    Fir needle 20.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.79 (neutral)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 87.47 ˚C est.

  • Synonyms

    • 15373-31-6
    • Cantryl
    • 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
    • 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
    • 2,2,3-Trimethylcyclopent-3-enylacetonitrile
    • 2-(2,2,3-TRIMETHYL-1-CYCLOPENT-3-ENYL)ACETONITRILE
    • EINECS 239-405-4
    • DTXSID60864589
    • 3-Cyclopentene-1-acetonitrile,2,2,3-trimethyl-
    • 3-Cyclopentnen-1-acetonitrile, 2,2,3-trimethyl-
    • NSC 122686
    • NSC122686
    • 2,2,3-trimethyl-3-cyclopentene-1-acetonitrile
    • 4-cyanomethyl-5,5-dimethyl-1-methylcyclopent-1-ene
    • SCHEMBL1791881
    • DTXCID30813089
    • CHEBI:142078
    • YYJOTFQPYNOYAB-UHFFFAOYSA-N
    • NSC-122686
    • NS00013282
    • 2-(2,2,3-trimethylcyclopent-3-enyl)ethanenitrile
    • (2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
    • 239-405-4

  • Applications

    3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl- is commonly used as a synthetic intermediate in the chemical industry, serving as a building block for a range of organic derivatives in pharmaceutical and agrochemical synthesis. It also acts as a precursor for processes that construct heterocycles and other complex molecular frameworks. Additionally, it can serve as a feedstock for polymers and specialty plastics, or participate in coatings, inks, and adhesives formulations through functionalization of the cyclopentene ring. In fragrance and personal-care contexts, it may be evaluated as an intermediate for fragrance-related compounds or odorants, subject to regulatory requirements and formulation limits. Real-world use depends on local regulations and formulation constraints (CAS 15373-31-6).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 420.09
    methanol 569.86
    isopropanol 329.68
    water 10.14
    ethyl acetate 1509.69
    n-propanol 361.66
    acetone 1649.01
    n-butanol 269.17
    acetonitrile 1520.23
    DMF 2134.97
    toluene 526.4
    isobutanol 247.57
    1,4-dioxane 2063.85
    methyl acetate 1482.27
    THF 1728.92
    2-butanone 1137.89
    n-pentanol 144.43
    sec-butanol 250.76
    n-hexane 29.56
    ethylene glycol 213.13
    NMP 1351.64
    cyclohexane 100.78
    DMSO 1232.54
    n-butyl acetate 509.62
    n-octanol 141.54
    chloroform 2427.11
    n-propyl acetate 439.79
    acetic acid 502.55
    dichloromethane 2186.88
    cyclohexanone 1129.36
    propylene glycol 216.53
    isopropyl acetate 729.37
    DMAc 1516.95
    2-ethoxyethanol 379.31
    isopentanol 217.37
    n-heptane 40.24
    ethyl formate 725.18
    1,2-dichloroethane 1408.96
    n-hexanol 236.65
    2-methoxyethanol 803.02
    isobutyl acetate 266.95
    tetrachloromethane 406.39
    n-pentyl acetate 284.78
    transcutol 1403.17
    n-heptanol 136.89
    ethylbenzene 221.14
    MIBK 437.43
    2-propoxyethanol 579.59
    tert-butanol 376.44
    MTBE 486.73
    2-butoxyethanol 320.75
    propionic acid 535.68
    o-xylene 284.18
    formic acid 322.25
    diethyl ether 710.16
    m-xylene 321.35
    p-xylene 335.97
    chlorobenzene 818.52
    dimethyl carbonate 835.01
    n-octane 18.69
    formamide 753.02
    cyclopentanone 1678.6
    2-pentanone 808.11
    anisole 686.72
    cyclopentyl methyl ether 619.64
    gamma-butyrolactone 1933.04
    1-methoxy-2-propanol 564.75
    pyridine 1401.74
    3-pentanone 823.27
    furfural 1650.75
    n-dodecane 18.96
    diethylene glycol 516.25
    diisopropyl ether 205.17
    tert-amyl alcohol 259.58
    acetylacetone 1498.32
    n-hexadecane 22.39
    acetophenone 542.32
    methyl propionate 1202.82
    isopentyl acetate 394.13
    trichloroethylene 2517.62
    n-nonanol 133.97
    cyclohexanol 249.86
    benzyl alcohol 323.87
    2-ethylhexanol 147.12
    isooctanol 108.35
    dipropyl ether 295.01
    1,2-dichlorobenzene 777.42
    ethyl lactate 231.25
    propylene carbonate 1013.23
    n-methylformamide 1148.96
    2-pentanol 187.12
    n-pentane 36.94
    1-propoxy-2-propanol 379.86
    1-methoxy-2-propyl acetate 717.16
    2-(2-methoxypropoxy) propanol 379.8
    mesitylene 199.59
    ε-caprolactone 875.12
    p-cymene 141.01
    epichlorohydrin 1871.31
    1,1,1-trichloroethane 1367.92
    2-aminoethanol 297.88
    morpholine-4-carbaldehyde 1511.13
    sulfolane 1469.45
    2,2,4-trimethylpentane 20.48
    2-methyltetrahydrofuran 945.22
    n-hexyl acetate 404.06
    isooctane 19.88
    2-(2-butoxyethoxy)ethanol 489.15
    sec-butyl acetate 311.57
    tert-butyl acetate 653.88
    decalin 47.07
    glycerin 278.75
    diglyme 1139.25
    acrylic acid 556.0
    isopropyl myristate 185.02
    n-butyric acid 547.53
    acetyl acetate 1146.67
    di(2-ethylhexyl) phthalate 179.24
    ethyl propionate 546.08
    nitromethane 2236.03
    1,2-diethoxyethane 574.87
    benzonitrile 616.89
    trioctyl phosphate 119.75
    1-bromopropane 537.2
    gamma-valerolactone 1913.68
    n-decanol 103.59
    triethyl phosphate 214.17
    4-methyl-2-pentanol 127.35
    propionitrile 896.85
    vinylene carbonate 1104.81
    1,1,2-trichlorotrifluoroethane 956.42
    DMS 727.12
    cumene 136.2
    2-octanol 91.65
    2-hexanone 350.06
    octyl acetate 229.52
    limonene 183.65
    1,2-dimethoxyethane 842.84
    ethyl orthosilicate 185.27
    tributyl phosphate 153.12
    diacetone alcohol 499.57
    N,N-dimethylaniline 320.44
    acrylonitrile 1254.67
    aniline 527.51
    1,3-propanediol 356.67
    bromobenzene 906.87
    dibromomethane 1186.31
    1,1,2,2-tetrachloroethane 1649.66
    2-methyl-cyclohexyl acetate 290.16
    tetrabutyl urea 188.31
    diisobutyl methanol 109.42
    2-phenylethanol 371.35
    styrene 315.99
    dioctyl adipate 279.98
    dimethyl sulfate 1150.15
    ethyl butyrate 425.73
    methyl lactate 470.15
    butyl lactate 209.79
    diethyl carbonate 345.82
    propanediol butyl ether 261.32
    triethyl orthoformate 262.05
    p-tert-butyltoluene 150.97
    methyl 4-tert-butylbenzoate 438.05
    morpholine 1545.8
    tert-butylamine 230.75
    n-dodecanol 82.28
    dimethoxymethane 1239.13
    ethylene carbonate 882.07
    cyrene 366.38
    2-ethoxyethyl acetate 594.63
    2-ethylhexyl acetate 308.55
    1,2,4-trichlorobenzene 850.09
    4-methylpyridine 1112.04
    dibutyl ether 192.05
    2,6-dimethyl-4-heptanol 109.42
    DEF 808.01
    dimethyl isosorbide 807.65
    tetrachloroethylene 1059.45
    eugenol 392.62
    triacetin 557.13
    span 80 290.53
    1,4-butanediol 131.06
    1,1-dichloroethane 1319.76
    2-methyl-1-pentanol 125.01
    methyl formate 1038.26
    2-methyl-1-butanol 188.91
    n-decane 28.02
    butyronitrile 592.8
    3,7-dimethyl-1-octanol 144.91
    1-chlorooctane 126.13
    1-chlorotetradecane 61.2
    n-nonane 24.67
    undecane 22.57
    tert-butylcyclohexane 37.37
    cyclooctane 34.94
    cyclopentanol 342.54
    tetrahydropyran 1086.46
    tert-amyl methyl ether 298.86
    2,5,8-trioxanonane 793.99
    1-hexene 102.37
    2-isopropoxyethanol 267.18
    2,2,2-trifluoroethanol 418.26
    methyl butyrate 545.51

    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