2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid

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  • Identifiers

    CAS number
    25435-53-4

    Molecular formula
    C10H16O2

    SMILES
    CC1=CCC(C1(C)C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.39%
    Herbal 45.31%
    Balsamic 40.15%
    Spicy 39.34%
    Dry 38.77%
    Sweet 35.36%
    Fatty 32.3%
    Animal 29.55%
    Pine 29.27%
    Tobacco 28.65%

     

    Flavor
    Woody 60.76%
    Herbal 30.56%
    Camphor 28.62%
    Minty 24.75%
    Dry 24.38%
    Green 24.19%
    Sweet 23.76%
    Ionone 21.34%
    Mint 20.83%
    Floral 20.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.99 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    264°C

    Flash point

    • 130.83 ˚C est.

  • Synonyms

    • 25435-53-4
    • 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid
    • 2,2,3-Trimethylcyclopent-3-ene-1-acetic acid
    • .alpha.-Campholenic acid
    • 7TZ7FCT2VN
    • NSC44160
    • EINECS 246-977-9
    • alpha-Campholenic acid
    • L-alpha-Campholenic acid
    • UNII-7TZ7FCT2VN
    • 2,2,3-Trimethyl-3-cyclopentene-1-acetic acid
    • L-.alpha.-Campholenic acid
    • 1-.alpha.-Campholenic acid
    • CAMPHOLENIC ACID, ALPHA
    • SCHEMBL9787618
    • DTXSID60948313
    • AKOS004123180
    • AKOS022176056
    • (+/-)-.ALPHA.-CAMPHOLENIC ACID
    • NS00050315
    • (2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid
    • 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-
    • 2-(2,2,3-trimethylcyclopent-3-en-1-yl)aceticacid
    • 3-Cyclopentene-1-acetic acid,2,3-trimethyl-, (R)-
    • 25435-53-4

  • Applications

    2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid (CAS 25435-53-4) is regarded as an important intermediate in the fragrance and flavor fields, primarily used as a precursor and starting point for the synthesis of aroma compounds and fragrance derivatives for cosmetics and personal care; it is also considered a starting point for pharmaceutical and agrochemical syntheses, and can serve as a feedstock for proprietary synthesis routes in industrial manufacturing. Additionally, as a terpenoid carboxylic acid, it can function as a building block or precursor for specialized syntheses related to polymers/coatings and related process formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 652.71
    methanol 687.23
    isopropanol 795.01
    water 13.51
    ethyl acetate 643.99
    n-propanol 594.83
    acetone 925.7
    n-butanol 460.92
    acetonitrile 746.12
    DMF 1431.06
    toluene 157.84
    isobutanol 441.68
    1,4-dioxane 1051.49
    methyl acetate 751.31
    THF 1414.4
    2-butanone 779.46
    n-pentanol 232.1
    sec-butanol 519.56
    n-hexane 10.44
    ethylene glycol 235.48
    NMP 589.65
    cyclohexane 20.86
    DMSO 719.98
    n-butyl acetate 259.08
    n-octanol 143.86
    chloroform 622.57
    n-propyl acetate 200.46
    acetic acid 276.26
    dichloromethane 604.02
    cyclohexanone 489.38
    propylene glycol 372.28
    isopropyl acetate 342.64
    DMAc 893.58
    2-ethoxyethanol 377.6
    isopentanol 383.18
    n-heptane 13.64
    ethyl formate 389.61
    1,2-dichloroethane 411.18
    n-hexanol 349.55
    2-methoxyethanol 981.65
    isobutyl acetate 121.38
    tetrachloromethane 123.82
    n-pentyl acetate 137.9
    transcutol 529.37
    n-heptanol 165.69
    ethylbenzene 94.22
    MIBK 302.18
    2-propoxyethanol 610.25
    tert-butanol 948.12
    MTBE 494.63
    2-butoxyethanol 277.56
    propionic acid 376.44
    o-xylene 128.52
    formic acid 187.91
    diethyl ether 356.75
    m-xylene 141.74
    p-xylene 144.68
    chlorobenzene 210.24
    dimethyl carbonate 267.47
    n-octane 8.58
    formamide 428.85
    cyclopentanone 895.4
    2-pentanone 523.69
    anisole 282.84
    cyclopentyl methyl ether 342.71
    gamma-butyrolactone 917.26
    1-methoxy-2-propanol 865.45
    pyridine 451.71
    3-pentanone 341.65
    furfural 549.71
    n-dodecane 9.09
    diethylene glycol 492.86
    diisopropyl ether 96.74
    tert-amyl alcohol 559.2
    acetylacetone 543.46
    n-hexadecane 10.2
    acetophenone 213.69
    methyl propionate 536.09
    isopentyl acetate 244.08
    trichloroethylene 634.69
    n-nonanol 128.81
    cyclohexanol 261.8
    benzyl alcohol 211.59
    2-ethylhexanol 160.32
    isooctanol 127.23
    dipropyl ether 140.6
    1,2-dichlorobenzene 186.7
    ethyl lactate 137.68
    propylene carbonate 405.6
    n-methylformamide 776.26
    2-pentanol 303.24
    n-pentane 16.09
    1-propoxy-2-propanol 392.77
    1-methoxy-2-propyl acetate 366.62
    2-(2-methoxypropoxy) propanol 224.15
    mesitylene 83.95
    ε-caprolactone 402.61
    p-cymene 73.07
    epichlorohydrin 919.68
    1,1,1-trichloroethane 460.8
    2-aminoethanol 443.99
    morpholine-4-carbaldehyde 749.05
    sulfolane 640.31
    2,2,4-trimethylpentane 15.41
    2-methyltetrahydrofuran 737.73
    n-hexyl acetate 193.62
    isooctane 13.36
    2-(2-butoxyethoxy)ethanol 297.61
    sec-butyl acetate 154.23
    tert-butyl acetate 340.77
    decalin 16.44
    glycerin 380.52
    diglyme 511.76
    acrylic acid 277.39
    isopropyl myristate 88.67
    n-butyric acid 389.04
    acetyl acetate 303.33
    di(2-ethylhexyl) phthalate 89.36
    ethyl propionate 223.26
    nitromethane 852.69
    1,2-diethoxyethane 239.53
    benzonitrile 240.68
    trioctyl phosphate 74.96
    1-bromopropane 238.1
    gamma-valerolactone 935.62
    n-decanol 99.25
    triethyl phosphate 92.17
    4-methyl-2-pentanol 206.49
    propionitrile 538.53
    vinylene carbonate 365.88
    1,1,2-trichlorotrifluoroethane 409.12
    DMS 203.8
    cumene 74.82
    2-octanol 116.87
    2-hexanone 234.39
    octyl acetate 117.21
    limonene 92.13
    1,2-dimethoxyethane 579.5
    ethyl orthosilicate 84.3
    tributyl phosphate 77.85
    diacetone alcohol 461.44
    N,N-dimethylaniline 177.97
    acrylonitrile 603.97
    aniline 279.62
    1,3-propanediol 555.26
    bromobenzene 189.88
    dibromomethane 353.72
    1,1,2,2-tetrachloroethane 476.64
    2-methyl-cyclohexyl acetate 147.94
    tetrabutyl urea 106.83
    diisobutyl methanol 102.35
    2-phenylethanol 276.79
    styrene 99.03
    dioctyl adipate 104.81
    dimethyl sulfate 366.72
    ethyl butyrate 182.43
    methyl lactate 292.44
    butyl lactate 128.27
    diethyl carbonate 135.53
    propanediol butyl ether 232.44
    triethyl orthoformate 112.39
    p-tert-butyltoluene 80.46
    methyl 4-tert-butylbenzoate 201.46
    morpholine 1080.38
    tert-butylamine 458.27
    n-dodecanol 74.72
    dimethoxymethane 737.99
    ethylene carbonate 318.4
    cyrene 241.79
    2-ethoxyethyl acetate 216.18
    2-ethylhexyl acetate 166.48
    1,2,4-trichlorobenzene 211.94
    4-methylpyridine 480.26
    dibutyl ether 92.43
    2,6-dimethyl-4-heptanol 102.35
    DEF 437.41
    dimethyl isosorbide 394.35
    tetrachloroethylene 282.3
    eugenol 211.77
    triacetin 162.81
    span 80 190.3
    1,4-butanediol 184.93
    1,1-dichloroethane 562.11
    2-methyl-1-pentanol 205.68
    methyl formate 598.02
    2-methyl-1-butanol 325.52
    n-decane 12.98
    butyronitrile 444.25
    3,7-dimethyl-1-octanol 147.24
    1-chlorooctane 63.51
    1-chlorotetradecane 29.04
    n-nonane 10.75
    undecane 10.78
    tert-butylcyclohexane 18.24
    cyclooctane 7.81
    cyclopentanol 419.21
    tetrahydropyran 619.02
    tert-amyl methyl ether 282.79
    2,5,8-trioxanonane 365.11
    1-hexene 57.55
    2-isopropoxyethanol 255.57
    2,2,2-trifluoroethanol 199.68
    methyl butyrate 272.98

    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