2,2,3-Trimethylcyclopentaneacetic acid

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  • Identifiers

    CAS number
    473-47-2

    Molecular formula
    C10H18O2

    SMILES
    CC1CCC(C1(C)C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 45.54%
    Balsamic 41.42%
    Herbal 39.02%
    Sour 34.68%
    Dry 34.15%
    Sweet 32.63%
    Animal 31.11%
    Fatty 31.02%
    Pine 30.52%
    Spicy 30.37%

     

    Flavor
    Woody 57.03%
    Sweet 31.67%
    Green 30.8%
    Camphor 29.81%
    Herbal 28.46%
    Dry 25.77%
    Minty 23.72%
    Musty 23.49%
    Fruity 22.93%
    Tropical 21.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.52 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 119.99 ˚C est.

  • Synonyms

    • 2,2,3-Trimethylcyclopentaneacetic acid
    • 473-47-2
    • EINECS 207-465-0
    • NSC 96753
    • RefChem:80843
    • 207-465-0
    • J48M6U752V
    • NSC-96753
    • (2,2,3-trimethylcyclopentyl)acetic acid
    • .alpha.-Campholanic acid
    • UNII-J48M6U752V
    • SCHEMBL5460347
    • SCHEMBL5634431
    • DTXSID70963794
    • ZSIJHYWOSUSCDZ-UHFFFAOYSA-N
    • NSC96753
    • Cyclopentaneacetic acid, 2,2,3-trimethyl-
    • NS00042873
    • 473-47-2

  • Applications

    2,2,3-Trimethylcyclopentaneacetic acid is used primarily as an organic synthesis intermediate. It serves as a building block for fragrance compounds and their ester derivatives in perfumery, and can be a precursor in pharmaceutical synthesis. In the polymers and plastics field, it can function as a bulky cyclopentyl-based carboxylic acid derivative to modify material properties or as a chiral building block for specialty monomers. The compound is also explored as a scaffold in agrochemical research for potential active ingredients, and in cosmetics and personal care as a precursor to specialty esters or formulation additives, with use subject to local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 759.15
    methanol 683.68
    isopropanol 986.88
    water 13.1
    ethyl acetate 738.86
    n-propanol 681.71
    acetone 993.18
    n-butanol 566.3
    acetonitrile 752.39
    DMF 1131.44
    toluene 178.79
    isobutanol 554.71
    1,4-dioxane 1161.3
    methyl acetate 782.41
    THF 1787.23
    2-butanone 816.54
    n-pentanol 273.61
    sec-butanol 598.32
    n-hexane 15.34
    ethylene glycol 263.7
    NMP 566.73
    cyclohexane 32.23
    DMSO 785.88
    n-butyl acetate 382.0
    n-octanol 159.77
    chloroform 772.05
    n-propyl acetate 247.59
    acetic acid 351.95
    dichloromethane 727.47
    cyclohexanone 612.33
    propylene glycol 422.13
    isopropyl acetate 446.47
    DMAc 737.94
    2-ethoxyethanol 420.84
    isopentanol 504.56
    n-heptane 19.08
    ethyl formate 467.51
    1,2-dichloroethane 513.15
    n-hexanol 468.61
    2-methoxyethanol 1072.67
    isobutyl acetate 168.28
    tetrachloromethane 154.65
    n-pentyl acetate 167.64
    transcutol 651.64
    n-heptanol 198.3
    ethylbenzene 106.25
    MIBK 373.96
    2-propoxyethanol 801.33
    tert-butanol 1234.21
    MTBE 618.72
    2-butoxyethanol 335.96
    propionic acid 455.04
    o-xylene 142.11
    formic acid 204.43
    diethyl ether 417.17
    m-xylene 161.39
    p-xylene 161.08
    chlorobenzene 268.25
    dimethyl carbonate 248.88
    n-octane 10.94
    formamide 407.0
    cyclopentanone 1064.13
    2-pentanone 565.22
    anisole 284.52
    cyclopentyl methyl ether 411.13
    gamma-butyrolactone 1147.3
    1-methoxy-2-propanol 1015.83
    pyridine 512.86
    3-pentanone 352.19
    furfural 691.36
    n-dodecane 10.84
    diethylene glycol 590.35
    diisopropyl ether 129.35
    tert-amyl alcohol 661.31
    acetylacetone 653.28
    n-hexadecane 12.26
    acetophenone 232.9
    methyl propionate 528.0
    isopentyl acetate 352.67
    trichloroethylene 769.97
    n-nonanol 141.31
    cyclohexanol 326.58
    benzyl alcohol 225.96
    2-ethylhexanol 206.31
    isooctanol 158.44
    dipropyl ether 185.14
    1,2-dichlorobenzene 231.64
    ethyl lactate 171.23
    propylene carbonate 548.09
    n-methylformamide 718.38
    2-pentanol 371.34
    n-pentane 21.51
    1-propoxy-2-propanol 549.33
    1-methoxy-2-propyl acetate 489.88
    2-(2-methoxypropoxy) propanol 273.94
    mesitylene 104.3
    ε-caprolactone 485.41
    p-cymene 92.23
    epichlorohydrin 1098.86
    1,1,1-trichloroethane 560.22
    2-aminoethanol 493.23
    morpholine-4-carbaldehyde 718.78
    sulfolane 829.13
    2,2,4-trimethylpentane 20.23
    2-methyltetrahydrofuran 922.33
    n-hexyl acetate 233.08
    isooctane 19.93
    2-(2-butoxyethoxy)ethanol 374.19
    sec-butyl acetate 200.49
    tert-butyl acetate 459.09
    decalin 21.55
    glycerin 429.63
    diglyme 626.01
    acrylic acid 328.09
    isopropyl myristate 106.91
    n-butyric acid 561.48
    acetyl acetate 364.63
    di(2-ethylhexyl) phthalate 109.48
    ethyl propionate 270.29
    nitromethane 915.82
    1,2-diethoxyethane 287.35
    benzonitrile 292.02
    trioctyl phosphate 91.37
    1-bromopropane 281.29
    gamma-valerolactone 1081.52
    n-decanol 111.82
    triethyl phosphate 115.31
    4-methyl-2-pentanol 275.08
    propionitrile 589.37
    vinylene carbonate 449.35
    1,1,2-trichlorotrifluoroethane 476.91
    DMS 227.81
    cumene 87.65
    2-octanol 136.33
    2-hexanone 266.66
    octyl acetate 137.42
    limonene 117.31
    1,2-dimethoxyethane 636.04
    ethyl orthosilicate 103.67
    tributyl phosphate 93.21
    diacetone alcohol 610.09
    N,N-dimethylaniline 180.76
    acrylonitrile 643.85
    aniline 315.04
    1,3-propanediol 682.64
    bromobenzene 244.04
    dibromomethane 441.06
    1,1,2,2-tetrachloroethane 606.25
    2-methyl-cyclohexyl acetate 186.46
    tetrabutyl urea 117.38
    diisobutyl methanol 137.86
    2-phenylethanol 338.67
    styrene 111.5
    dioctyl adipate 127.83
    dimethyl sulfate 340.91
    ethyl butyrate 248.38
    methyl lactate 319.3
    butyl lactate 167.3
    diethyl carbonate 178.34
    propanediol butyl ether 285.62
    triethyl orthoformate 156.18
    p-tert-butyltoluene 104.46
    methyl 4-tert-butylbenzoate 241.2
    morpholine 1150.94
    tert-butylamine 656.88
    n-dodecanol 86.22
    dimethoxymethane 708.15
    ethylene carbonate 400.43
    cyrene 268.28
    2-ethoxyethyl acetate 255.27
    2-ethylhexyl acetate 240.08
    1,2,4-trichlorobenzene 265.17
    4-methylpyridine 524.27
    dibutyl ether 103.43
    2,6-dimethyl-4-heptanol 137.86
    DEF 424.73
    dimethyl isosorbide 471.82
    tetrachloroethylene 355.69
    eugenol 247.98
    triacetin 193.64
    span 80 245.82
    1,4-butanediol 218.13
    1,1-dichloroethane 647.49
    2-methyl-1-pentanol 241.42
    methyl formate 577.62
    2-methyl-1-butanol 388.07
    n-decane 15.55
    butyronitrile 526.59
    3,7-dimethyl-1-octanol 176.81
    1-chlorooctane 74.9
    1-chlorotetradecane 34.01
    n-nonane 13.25
    undecane 13.01
    tert-butylcyclohexane 23.61
    cyclooctane 12.03
    cyclopentanol 531.17
    tetrahydropyran 749.15
    tert-amyl methyl ether 328.9
    2,5,8-trioxanonane 430.05
    1-hexene 75.52
    2-isopropoxyethanol 312.84
    2,2,2-trifluoroethanol 244.04
    methyl butyrate 322.45

    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