1,1,3-Trimethylcyclopentane

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  • Identifiers

    CAS number
    4516-69-2

    Molecular formula
    C8H16

    SMILES
    CC1CCC(C1)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.09%
    Green 61.73%
    Woody 53.46%
    Camphoreous 38.39%
    Fresh 37.85%
    Herbal 37.21%
    Spicy 37.16%
    Pine 34.14%
    Dry 33.75%
    Citrus 33.43%

     

    Flavor
    Sweet 41.38%
    Woody 38.29%
    Camphor 35.67%
    Dry 33.07%
    Pine 29.06%
    Earthy 26.64%
    Old paper 23.44%
    Alkane 21.08%
    Terpenic 20.92%
    Patchouli 20.82%

     

    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.
    106°C

    Flash point

    • 2.28 ˚C est.

  • Synonyms

    • 1,1,3-TRIMETHYLCYCLOPENTANE
    • 4516-69-2
    • Cyclopentane, 1,1,3-trimethyl-
    • NSC 73945
    • DTXSID30871083
    • RefChem:70963
    • Cyclopentane, 1,1,3trimethyl
    • DTXCID30818756
    • Cyclopentane, 1,1,3-trimethyl-(8CI)
    • Cyclopentane, 1,1,3-trimethyl-(8CI)(9CI)
    • OBKHYUIZSOIEPG-UHFFFAOYSA-N
    • Cyclopentane,1,1,3-trimethyl-
    • NSC73945
    • 1,3-Trimethylcyclopentane
    • Cyclopentane,1,3-trimethyl-
    • SCHEMBL598337
    • SCHEMBL1703037
    • SCHEMBL3421563
    • SCHEMBL3621809
    • SCHEMBL7187822
    • SCHEMBL10580114
    • SCHEMBL10774832
    • SCHEMBL23494298
    • CHEBI:229259
    • NSC-73945
    • AKOS006271783
    • (A+/-)-1,1,3-trimethyl-cyclopentane
    • 4516-69-2

  • Applications

    1,1,3-Trimethylcyclopentane (CAS 4516-69-2) is an aliphatic hydrocarbon used as a nonpolar solvent and processing aid in industrial formulations. It is commonly employed as a diluent in coatings, paints, varnishes, and inks, and can serve as an intermediate in organic synthesis and in polymer processing. In fragrance and cosmetics, it may act as a solvent carrier for aromatic compounds. It is also encountered in cleaning formulations and household products as a nonpolar solvent. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1076.71
    methanol 729.36
    isopropanol 971.13
    water 0.97
    ethyl acetate 1453.52
    n-propanol 1024.43
    acetone 874.25
    n-butanol 1338.02
    acetonitrile 678.47
    DMF 503.3
    toluene 790.78
    isobutanol 861.96
    1,4-dioxane 1734.88
    methyl acetate 967.46
    THF 2618.16
    2-butanone 1109.26
    n-pentanol 790.82
    sec-butanol 1100.29
    n-hexane 1280.91
    ethylene glycol 119.02
    NMP 620.63
    cyclohexane 1291.83
    DMSO 394.35
    n-butyl acetate 2480.0
    n-octanol 1061.64
    chloroform 1791.07
    n-propyl acetate 737.1
    acetic acid 506.64
    dichloromethane 1211.68
    cyclohexanone 1294.43
    propylene glycol 266.1
    isopropyl acetate 1195.35
    DMAc 607.28
    2-ethoxyethanol 604.0
    isopentanol 1234.41
    n-heptane 2031.24
    ethyl formate 531.48
    1,2-dichloroethane 805.94
    n-hexanol 2719.16
    2-methoxyethanol 957.78
    isobutyl acetate 656.34
    tetrachloromethane 597.61
    n-pentyl acetate 888.69
    transcutol 2389.61
    n-heptanol 1067.29
    ethylbenzene 400.17
    MIBK 926.56
    2-propoxyethanol 2002.96
    tert-butanol 1391.52
    MTBE 2248.4
    2-butoxyethanol 997.67
    propionic acid 579.72
    o-xylene 515.47
    formic acid 114.44
    diethyl ether 2262.81
    m-xylene 636.09
    p-xylene 465.85
    chlorobenzene 646.16
    dimethyl carbonate 274.04
    n-octane 526.5
    formamide 131.84
    cyclopentanone 1172.38
    2-pentanone 1145.84
    anisole 584.56
    cyclopentyl methyl ether 1666.77
    gamma-butyrolactone 1027.12
    1-methoxy-2-propanol 1018.52
    pyridine 849.79
    3-pentanone 947.91
    furfural 643.57
    n-dodecane 336.57
    diethylene glycol 732.77
    diisopropyl ether 1363.15
    tert-amyl alcohol 1374.85
    acetylacetone 828.83
    n-hexadecane 368.2
    acetophenone 376.49
    methyl propionate 850.25
    isopentyl acetate 2057.88
    trichloroethylene 1033.1
    n-nonanol 1006.67
    cyclohexanol 1120.57
    benzyl alcohol 331.46
    2-ethylhexanol 2203.48
    isooctanol 887.53
    dipropyl ether 2809.94
    1,2-dichlorobenzene 541.5
    ethyl lactate 293.19
    propylene carbonate 750.22
    n-methylformamide 315.64
    2-pentanol 1181.35
    n-pentane 1141.95
    1-propoxy-2-propanol 2026.47
    1-methoxy-2-propyl acetate 1578.3
    2-(2-methoxypropoxy) propanol 888.34
    mesitylene 528.1
    ε-caprolactone 1168.82
    p-cymene 637.86
    epichlorohydrin 1049.15
    1,1,1-trichloroethane 1201.07
    2-aminoethanol 338.62
    morpholine-4-carbaldehyde 821.61
    sulfolane 719.07
    2,2,4-trimethylpentane 596.86
    2-methyltetrahydrofuran 2241.08
    n-hexyl acetate 1360.55
    isooctane 607.0
    2-(2-butoxyethoxy)ethanol 1211.8
    sec-butyl acetate 719.31
    tert-butyl acetate 1392.36
    decalin 525.0
    glycerin 282.36
    diglyme 1557.62
    acrylic acid 319.59
    isopropyl myristate 724.81
    n-butyric acid 1129.32
    acetyl acetate 755.43
    di(2-ethylhexyl) phthalate 388.91
    ethyl propionate 730.83
    nitromethane 498.21
    1,2-diethoxyethane 1782.19
    benzonitrile 475.7
    trioctyl phosphate 400.8
    1-bromopropane 1305.16
    gamma-valerolactone 1170.38
    n-decanol 791.66
    triethyl phosphate 486.24
    4-methyl-2-pentanol 972.37
    propionitrile 881.42
    vinylene carbonate 519.89
    1,1,2-trichlorotrifluoroethane 585.91
    DMS 553.31
    cumene 334.58
    2-octanol 715.27
    2-hexanone 835.0
    octyl acetate 842.84
    limonene 1272.14
    1,2-dimethoxyethane 1033.98
    ethyl orthosilicate 577.56
    tributyl phosphate 475.49
    diacetone alcohol 936.52
    N,N-dimethylaniline 404.69
    acrylonitrile 593.2
    aniline 703.61
    1,3-propanediol 533.68
    bromobenzene 724.92
    dibromomethane 1169.0
    1,1,2,2-tetrachloroethane 1016.46
    2-methyl-cyclohexyl acetate 967.32
    tetrabutyl urea 503.36
    diisobutyl methanol 1102.98
    2-phenylethanol 780.84
    styrene 429.71
    dioctyl adipate 599.59
    dimethyl sulfate 241.73
    ethyl butyrate 1423.22
    methyl lactate 327.11
    butyl lactate 570.73
    diethyl carbonate 750.61
    propanediol butyl ether 693.19
    triethyl orthoformate 1145.62
    p-tert-butyltoluene 683.54
    methyl 4-tert-butylbenzoate 618.92
    morpholine 1822.62
    tert-butylamine 1446.31
    n-dodecanol 642.71
    dimethoxymethane 780.36
    ethylene carbonate 582.57
    cyrene 376.47
    2-ethoxyethyl acetate 890.12
    2-ethylhexyl acetate 1807.21
    1,2,4-trichlorobenzene 561.42
    4-methylpyridine 907.82
    dibutyl ether 1806.12
    2,6-dimethyl-4-heptanol 1102.98
    DEF 964.37
    dimethyl isosorbide 1108.61
    tetrachloroethylene 695.32
    eugenol 447.54
    triacetin 705.67
    span 80 917.47
    1,4-butanediol 192.42
    1,1-dichloroethane 1110.87
    2-methyl-1-pentanol 802.8
    methyl formate 233.88
    2-methyl-1-butanol 1120.7
    n-decane 581.49
    butyronitrile 1199.29
    3,7-dimethyl-1-octanol 1246.61
    1-chlorooctane 987.97
    1-chlorotetradecane 450.64
    n-nonane 619.5
    undecane 425.11
    tert-butylcyclohexane 588.53
    cyclooctane 704.91
    cyclopentanol 894.15
    tetrahydropyran 2397.38
    tert-amyl methyl ether 1720.04
    2,5,8-trioxanonane 1053.82
    1-hexene 1509.41
    2-isopropoxyethanol 599.26
    2,2,2-trifluoroethanol 154.9
    methyl butyrate 751.1

    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