1,3-Dimethylcyclopentane

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  • Identifiers

    CAS number
    2453-00-1

    Molecular formula
    C7H14

    SMILES
    CC1CCC(C1)C

  • Odor profile

    Fragrance
    Citrus 49.37%
    Sweet 36.99%
    Fresh 36.73%
    Woody 36.6%
    Herbal 36.13%
    Green 30.8%
    Lemon 30.29%
    Spicy 29.94%
    Terpenic 28.99%
    Mint 27.95%

     

    Flavor
    Sweet 27.97%
    Woody 24.51%
    Camphor 22.79%
    Dry 22.7%
    Pine 22.24%
    Old paper 21.59%
    Terpenic 20.91%
    Fir needle 20.75%
    Beet 20.65%
    Soil 20.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.66 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    91°C

    Flash point

    • -8.46 ˚C est.
    • Flash point < 21 °C

  • Synonyms

    • 1,3-DIMETHYLCYCLOPENTANE
    • Cyclopentane, 1,3-dimethyl-
    • 2453-00-1
    • EINECS 219-521-1
    • DTXSID10871849
    • Cyclopentane,1,3-dimethyl-
    • 1,3Dimethyl cyclopentane
    • 1,3-dimethyl-cyclopentane
    • DTXCID10819468
    • AKOS006227861
    • TRANS-1,3-DIMETHYL-CYCLOPENTANE
    • NS00083112
    • 219-521-1

  • Applications

    Chemical name: 1,3-Dimethylcyclopentane; CAS number: 2453-00-1. It is used primarily as a nonpolar hydrocarbon solvent and diluent in various industrial formulations, including coatings, inks, and adhesives, where it helps dissolve resins and adjust viscosity. It may serve as an intermediate in organic synthesis, enabling preparation of more complex cyclopentane derivatives. In cleaning and degreasing formulations, it can act as a volatile, low-polarity solvent to dissolve oily residues. It is sometimes considered as a process solvent or diluent in polymer and plastics manufacturing. Depending on local regulations, its use is subject to formulation limits and safety requirements. It may also be utilized as a reference solvent in analytical methods.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 859.82
    methanol 531.82
    isopropanol 733.51
    water 0.29
    ethyl acetate 1398.23
    n-propanol 845.72
    acetone 877.64
    n-butanol 1110.02
    acetonitrile 607.25
    DMF 357.82
    toluene 723.48
    isobutanol 619.28
    1,4-dioxane 1615.4
    methyl acetate 854.74
    THF 2821.89
    2-butanone 1052.2
    n-pentanol 662.63
    sec-butanol 840.54
    n-hexane 1170.99
    ethylene glycol 71.41
    NMP 609.91
    cyclohexane 1354.66
    DMSO 409.97
    n-butyl acetate 2774.67
    n-octanol 613.84
    chloroform 2354.58
    n-propyl acetate 729.24
    acetic acid 461.42
    dichloromethane 1702.26
    cyclohexanone 1328.62
    propylene glycol 167.33
    isopropyl acetate 1033.98
    DMAc 395.82
    2-ethoxyethanol 490.47
    isopentanol 980.53
    n-heptane 1976.0
    ethyl formate 544.06
    1,2-dichloroethane 1023.25
    n-hexanol 2106.08
    2-methoxyethanol 767.36
    isobutyl acetate 562.78
    tetrachloromethane 733.78
    n-pentyl acetate 819.92
    transcutol 2017.48
    n-heptanol 689.51
    ethylbenzene 321.83
    MIBK 747.59
    2-propoxyethanol 1703.01
    tert-butanol 1048.69
    MTBE 1646.32
    2-butoxyethanol 749.44
    propionic acid 506.81
    o-xylene 412.3
    formic acid 76.54
    diethyl ether 2153.85
    m-xylene 490.31
    p-xylene 356.85
    chlorobenzene 700.73
    dimethyl carbonate 191.03
    n-octane 438.62
    formamide 93.58
    cyclopentanone 1342.97
    2-pentanone 1121.11
    anisole 453.08
    cyclopentyl methyl ether 1573.36
    gamma-butyrolactone 1167.3
    1-methoxy-2-propanol 753.3
    pyridine 984.83
    3-pentanone 864.37
    furfural 722.05
    n-dodecane 231.46
    diethylene glycol 553.86
    diisopropyl ether 1022.9
    tert-amyl alcohol 944.91
    acetylacetone 765.66
    n-hexadecane 261.33
    acetophenone 311.15
    methyl propionate 724.24
    isopentyl acetate 1968.19
    trichloroethylene 1358.3
    n-nonanol 594.45
    cyclohexanol 985.85
    benzyl alcohol 281.33
    2-ethylhexanol 1753.32
    isooctanol 564.22
    dipropyl ether 2928.61
    1,2-dichlorobenzene 558.21
    ethyl lactate 222.94
    propylene carbonate 780.25
    n-methylformamide 242.31
    2-pentanol 928.31
    n-pentane 1052.46
    1-propoxy-2-propanol 1843.4
    1-methoxy-2-propyl acetate 1355.23
    2-(2-methoxypropoxy) propanol 583.87
    mesitylene 359.67
    ε-caprolactone 1177.44
    p-cymene 540.51
    epichlorohydrin 1123.88
    1,1,1-trichloroethane 1424.59
    2-aminoethanol 221.35
    morpholine-4-carbaldehyde 656.02
    sulfolane 778.1
    2,2,4-trimethylpentane 386.54
    2-methyltetrahydrofuran 2357.34
    n-hexyl acetate 1004.43
    isooctane 382.13
    2-(2-butoxyethoxy)ethanol 859.11
    sec-butyl acetate 613.46
    tert-butyl acetate 1047.42
    decalin 396.86
    glycerin 175.15
    diglyme 1282.96
    acrylic acid 277.77
    isopropyl myristate 524.76
    n-butyric acid 1154.83
    acetyl acetate 718.68
    di(2-ethylhexyl) phthalate 274.4
    ethyl propionate 652.12
    nitromethane 493.67
    1,2-diethoxyethane 1859.41
    benzonitrile 469.41
    trioctyl phosphate 270.17
    1-bromopropane 1573.65
    gamma-valerolactone 1177.6
    n-decanol 475.97
    triethyl phosphate 428.38
    4-methyl-2-pentanol 636.7
    propionitrile 837.14
    vinylene carbonate 526.8
    1,1,2-trichlorotrifluoroethane 590.87
    DMS 413.25
    cumene 244.96
    2-octanol 459.27
    2-hexanone 798.65
    octyl acetate 583.41
    limonene 1101.92
    1,2-dimethoxyethane 943.57
    ethyl orthosilicate 504.54
    tributyl phosphate 356.27
    diacetone alcohol 680.8
    N,N-dimethylaniline 276.32
    acrylonitrile 571.47
    aniline 613.54
    1,3-propanediol 415.56
    bromobenzene 804.68
    dibromomethane 1551.7
    1,1,2,2-tetrachloroethane 1262.86
    2-methyl-cyclohexyl acetate 818.46
    tetrabutyl urea 375.39
    diisobutyl methanol 915.1
    2-phenylethanol 628.78
    styrene 370.91
    dioctyl adipate 471.98
    dimethyl sulfate 169.51
    ethyl butyrate 1583.7
    methyl lactate 213.63
    butyl lactate 469.08
    diethyl carbonate 777.74
    propanediol butyl ether 451.54
    triethyl orthoformate 1110.17
    p-tert-butyltoluene 553.49
    methyl 4-tert-butylbenzoate 402.29
    morpholine 1685.63
    tert-butylamine 1099.61
    n-dodecanol 409.15
    dimethoxymethane 580.24
    ethylene carbonate 572.22
    cyrene 263.62
    2-ethoxyethyl acetate 806.41
    2-ethylhexyl acetate 1738.95
    1,2,4-trichlorobenzene 583.04
    4-methylpyridine 922.8
    dibutyl ether 1616.98
    2,6-dimethyl-4-heptanol 915.1
    DEF 813.21
    dimethyl isosorbide 881.74
    tetrachloroethylene 861.94
    eugenol 321.58
    triacetin 502.33
    span 80 651.13
    1,4-butanediol 133.13
    1,1-dichloroethane 1334.53
    2-methyl-1-pentanol 635.37
    methyl formate 186.74
    2-methyl-1-butanol 846.63
    n-decane 415.7
    butyronitrile 1146.95
    3,7-dimethyl-1-octanol 846.63
    1-chlorooctane 706.09
    1-chlorotetradecane 322.26
    n-nonane 463.6
    undecane 293.48
    tert-butylcyclohexane 391.03
    cyclooctane 599.09
    cyclopentanol 847.38
    tetrahydropyran 2520.1
    tert-amyl methyl ether 1185.36
    2,5,8-trioxanonane 803.04
    1-hexene 1465.34
    2-isopropoxyethanol 467.1
    2,2,2-trifluoroethanol 125.89
    methyl butyrate 731.5

    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

Botanical

Name CAS Botanical Proportion
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.02%