1,1,2-Trimethylcyclopentane

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  • Identifiers

    CAS number
    4259-00-1

    Molecular formula
    C8H16

    SMILES
    CC1CCCC1(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.02%
    Sweet 56.52%
    Camphoreous 43.05%
    Green 42.72%
    Pine 40.72%
    Fresh 39.88%
    Dry 38.82%
    Herbal 35.67%
    Citrus 33.19%
    Spicy 33.03%

     

    Flavor
    Sweet 43.11%
    Camphor 40.37%
    Woody 36.74%
    Dry 33.31%
    Pine 31.9%
    Alkane 27.9%
    Old paper 23.24%
    Earthy 22.91%
    Fir needle 21.79%
    Patchouli 20.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.52 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point

    • 6.28 ˚C est.

  • Synonyms

    • 1,1,2-Trimethylcyclopentane
    • 4259-00-1
    • DTXSID50871065
    • RefChem:1051702
    • DTXCID10818739
    • Camphocean
    • TRIMETHYLCYCLOPENTANE
    • Cyclopentane, 1,1,2-trimethyl-
    • 30498-64-7
    • Cyclopentane, trimethyl-
    • SCHEMBL175993
    • SCHEMBL258350
    • SCHEMBL1713181
    • SCHEMBL1775390
    • SCHEMBL4578550
    • SCHEMBL4746119
    • SCHEMBL7067769
    • SCHEMBL7489813
    • SCHEMBL9152096
    • SCHEMBL9766073
    • AKOS006273267
    • 4259-00-1

  • Applications

    1,1,2-Trimethylcyclopentane (CAS 4259-00-1) is an alicyclic branched hydrocarbon primarily used as a nonpolar solvent and diluent in industrial applications, such as coatings, inks, and cleaning formulations; it is often considered an intermediate or building block in organic synthesis and plastics/polymer processing; in addition, it may serve as a processing solvent or diluent in adhesive formulations; in industrial manufacturing it can act as a feedstock for the synthesis of cyclic compounds or as a component in plastics processing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 691.5
    methanol 449.81
    isopropanol 681.41
    water 0.9
    ethyl acetate 1326.95
    n-propanol 708.48
    acetone 625.22
    n-butanol 819.11
    acetonitrile 660.63
    DMF 409.25
    toluene 776.59
    isobutanol 521.52
    1,4-dioxane 1465.91
    methyl acetate 835.11
    THF 1754.65
    2-butanone 781.08
    n-pentanol 482.32
    sec-butanol 750.14
    n-hexane 587.55
    ethylene glycol 88.82
    NMP 343.27
    cyclohexane 654.08
    DMSO 282.65
    n-butyl acetate 1456.35
    n-octanol 545.2
    chloroform 1823.68
    n-propyl acetate 551.29
    acetic acid 305.46
    dichloromethane 1188.17
    cyclohexanone 725.31
    propylene glycol 208.89
    isopropyl acetate 954.46
    DMAc 469.82
    2-ethoxyethanol 497.27
    isopentanol 732.12
    n-heptane 767.43
    ethyl formate 399.81
    1,2-dichloroethane 797.75
    n-hexanol 1215.02
    2-methoxyethanol 680.1
    isobutyl acetate 446.96
    tetrachloromethane 621.88
    n-pentyl acetate 581.28
    transcutol 2111.42
    n-heptanol 562.64
    ethylbenzene 415.57
    MIBK 649.59
    2-propoxyethanol 1149.5
    tert-butanol 958.88
    MTBE 1554.79
    2-butoxyethanol 668.9
    propionic acid 413.58
    o-xylene 452.18
    formic acid 76.21
    diethyl ether 1594.17
    m-xylene 569.09
    p-xylene 475.32
    chlorobenzene 654.62
    dimethyl carbonate 252.5
    n-octane 256.14
    formamide 146.48
    cyclopentanone 726.41
    2-pentanone 782.12
    anisole 661.62
    cyclopentyl methyl ether 976.23
    gamma-butyrolactone 720.53
    1-methoxy-2-propanol 725.28
    pyridine 997.49
    3-pentanone 656.99
    furfural 586.67
    n-dodecane 173.58
    diethylene glycol 498.28
    diisopropyl ether 828.1
    tert-amyl alcohol 894.33
    acetylacetone 721.15
    n-hexadecane 190.31
    acetophenone 411.44
    methyl propionate 702.87
    isopentyl acetate 1219.01
    trichloroethylene 1172.05
    n-nonanol 544.87
    cyclohexanol 608.62
    benzyl alcohol 341.25
    2-ethylhexanol 953.24
    isooctanol 478.6
    dipropyl ether 1512.48
    1,2-dichlorobenzene 570.33
    ethyl lactate 223.51
    propylene carbonate 531.9
    n-methylformamide 269.08
    2-pentanol 721.88
    n-pentane 558.52
    1-propoxy-2-propanol 1144.27
    1-methoxy-2-propyl acetate 1164.67
    2-(2-methoxypropoxy) propanol 747.86
    mesitylene 449.63
    ε-caprolactone 782.41
    p-cymene 497.77
    epichlorohydrin 891.76
    1,1,1-trichloroethane 1201.85
    2-aminoethanol 249.07
    morpholine-4-carbaldehyde 583.49
    sulfolane 467.86
    2,2,4-trimethylpentane 295.04
    2-methyltetrahydrofuran 1376.73
    n-hexyl acetate 840.38
    isooctane 309.76
    2-(2-butoxyethoxy)ethanol 953.36
    sec-butyl acetate 542.32
    tert-butyl acetate 1045.79
    decalin 297.03
    glycerin 195.75
    diglyme 1383.86
    acrylic acid 246.29
    isopropyl myristate 493.07
    n-butyric acid 759.03
    acetyl acetate 713.75
    di(2-ethylhexyl) phthalate 305.48
    ethyl propionate 599.2
    nitromethane 436.84
    1,2-diethoxyethane 1528.74
    benzonitrile 469.61
    trioctyl phosphate 236.48
    1-bromopropane 1027.79
    gamma-valerolactone 830.03
    n-decanol 442.21
    triethyl phosphate 390.06
    4-methyl-2-pentanol 584.24
    propionitrile 785.09
    vinylene carbonate 446.57
    1,1,2-trichlorotrifluoroethane 473.02
    DMS 511.3
    cumene 329.02
    2-octanol 393.16
    2-hexanone 513.22
    octyl acetate 535.09
    limonene 716.03
    1,2-dimethoxyethane 910.48
    ethyl orthosilicate 452.99
    tributyl phosphate 313.38
    diacetone alcohol 690.53
    N,N-dimethylaniline 440.95
    acrylonitrile 611.6
    aniline 661.38
    1,3-propanediol 405.16
    bromobenzene 753.58
    dibromomethane 985.8
    1,1,2,2-tetrachloroethane 1061.86
    2-methyl-cyclohexyl acetate 623.97
    tetrabutyl urea 305.74
    diisobutyl methanol 614.16
    2-phenylethanol 634.13
    styrene 480.43
    dioctyl adipate 474.58
    dimethyl sulfate 230.97
    ethyl butyrate 1018.56
    methyl lactate 266.53
    butyl lactate 398.28
    diethyl carbonate 664.4
    propanediol butyl ether 449.4
    triethyl orthoformate 843.39
    p-tert-butyltoluene 535.51
    methyl 4-tert-butylbenzoate 569.04
    morpholine 1401.58
    tert-butylamine 971.16
    n-dodecanol 364.64
    dimethoxymethane 600.6
    ethylene carbonate 462.44
    cyrene 277.0
    2-ethoxyethyl acetate 715.25
    2-ethylhexyl acetate 1046.45
    1,2,4-trichlorobenzene 599.68
    4-methylpyridine 886.25
    dibutyl ether 1072.61
    2,6-dimethyl-4-heptanol 614.16
    DEF 609.82
    dimethyl isosorbide 965.9
    tetrachloroethylene 743.45
    eugenol 431.46
    triacetin 596.92
    span 80 663.66
    1,4-butanediol 139.58
    1,1-dichloroethane 1059.67
    2-methyl-1-pentanol 487.91
    methyl formate 181.72
    2-methyl-1-butanol 633.86
    n-decane 269.51
    butyronitrile 878.73
    3,7-dimethyl-1-octanol 689.26
    1-chlorooctane 534.44
    1-chlorotetradecane 270.21
    n-nonane 279.05
    undecane 210.29
    tert-butylcyclohexane 307.68
    cyclooctane 344.83
    cyclopentanol 504.34
    tetrahydropyran 1628.05
    tert-amyl methyl ether 1040.44
    2,5,8-trioxanonane 984.22
    1-hexene 865.61
    2-isopropoxyethanol 452.7
    2,2,2-trifluoroethanol 133.44
    methyl butyrate 577.18

    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