1-Trans-2-methylisopropylcyclopentane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    61828-01-1

    Molecular formula
    C9H18

    SMILES
    C[C@@H]1CCC[C@H]1C(C)C

  • Odor profile

    Woody 55.32%
    Herbal 52.33%
    Fresh 49.95%
    Spicy 45.95%
    Citrus 42.55%
    Pine 39.53%
    Green 39.05%
    Terpenic 35.05%
    Mint 32.74%
    Dry 30.09%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.11 (weak base)

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point est.
    28.03 ˚C

  • Synonyms

    • 1-trans-2-methylisopropylcyclopentane
    • 61828-01-1
    • DTXSID30423824
    • DTXCID50374662
    • trans-1-methyl-2-(1-methylethyl)cyclo-pentane

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3270.37
    methanol 2086.5
    isopropanol 2680.78
    water 0.25
    ethyl acetate 4591.02
    n-propanol 3021.4
    acetone 3656.23
    n-butanol 3916.57
    acetonitrile 2821.13
    DMF 1227.99
    toluene 2684.56
    isobutanol 2480.98
    1,4-dioxane 6216.39
    methyl acetate 2722.11
    THF 10850.47
    2-butanone 3480.65
    n-pentanol 2198.63
    sec-butanol 2710.7
    n-hexane 4176.62
    ethylene glycol 142.34
    NMP 1533.6
    cyclohexane 5312.68
    DMSO 1379.1
    n-butyl acetate 10282.57
    n-octanol 1665.86
    chloroform 6080.93
    n-propyl acetate 2601.45
    acetic acid 1142.47
    dichloromethane 5434.32
    cyclohexanone 4988.66
    propylene glycol 297.9
    isopropyl acetate 3248.54
    DMAc 1009.86
    2-ethoxyethanol 1478.27
    isopentanol 3462.88
    n-heptane 5914.99
    ethyl formate 1897.36
    1,2-dichloroethane 3813.62
    n-hexanol 7042.07
    2-methoxyethanol 2268.79
    isobutyl acetate 1752.66
    tetrachloromethane 2137.77
    n-pentyl acetate 2587.53
    transcutol 4591.39
    n-heptanol 1968.56
    ethylbenzene 980.89
    MIBK 2518.75
    2-propoxyethanol 5143.64
    tert-butanol 3680.29
    MTBE 6552.18
    2-butoxyethanol 1894.79
    propionic acid 1253.19
    o-xylene 1171.43
    formic acid 172.1
    diethyl ether 9174.3
    m-xylene 1554.44
    p-xylene 1116.83
    chlorobenzene 2299.7
    dimethyl carbonate 465.87
    n-octane 1174.91
    formamide 248.05
    cyclopentanone 4533.47
    2-pentanone 3985.59
    anisole 1310.07
    cyclopentyl methyl ether 5725.31
    gamma-butyrolactone 3628.11
    1-methoxy-2-propanol 1880.54
    pyridine 3498.73
    3-pentanone 2784.57
    furfural 1848.74
    n-dodecane 542.33
    diethylene glycol 1278.47
    diisopropyl ether 3630.16
    tert-amyl alcohol 2923.01
    acetylacetone 2257.17
    n-hexadecane 626.5
    acetophenone 789.22
    methyl propionate 2117.7
    isopentyl acetate 7209.93
    trichloroethylene 4117.96
    n-nonanol 1502.37
    cyclohexanol 3501.85
    benzyl alcohol 735.3
    2-ethylhexanol 5609.79
    isooctanol 1620.27
    dipropyl ether 9742.67
    1,2-dichlorobenzene 1550.73
    ethyl lactate 447.43
    propylene carbonate 2076.26
    n-methylformamide 828.5
    2-pentanol 3083.06
    n-pentane 3593.34
    1-propoxy-2-propanol 5004.08
    1-methoxy-2-propyl acetate 3710.53
    2-(2-methoxypropoxy) propanol 1061.92
    mesitylene 1153.84
    ε-caprolactone 3685.68
    p-cymene 1573.12
    epichlorohydrin 4072.94
    1,1,1-trichloroethane 4289.82
    2-aminoethanol 512.05
    morpholine-4-carbaldehyde 1824.95
    sulfolane 2364.5
    2,2,4-trimethylpentane 1164.75
    2-methyltetrahydrofuran 9325.0
    n-hexyl acetate 2887.73
    isooctane 1269.9
    2-(2-butoxyethoxy)ethanol 1714.77
    sec-butyl acetate 1852.62
    tert-butyl acetate 3447.92
    decalin 1242.05
    glycerin 285.5
    diglyme 3048.73
    acrylic acid 622.21
    isopropyl myristate 1258.28
    n-butyric acid 3194.62
    acetyl acetate 1785.73
    di(2-ethylhexyl) phthalate 574.18
    ethyl propionate 1982.25
    nitromethane 1494.46
    1,2-diethoxyethane 5990.19
    benzonitrile 1519.2
    trioctyl phosphate 610.45
    1-bromopropane 5492.46
    gamma-valerolactone 3758.58
    n-decanol 1128.38
    triethyl phosphate 925.94
    4-methyl-2-pentanol 1866.46
    propionitrile 3276.62
    vinylene carbonate 1419.48
    1,1,2-trichlorotrifluoroethane 1295.56
    DMS 979.87
    cumene 685.13
    2-octanol 1312.92
    2-hexanone 2946.26
    octyl acetate 1371.6
    limonene 3529.29
    1,2-dimethoxyethane 3607.77
    ethyl orthosilicate 1187.7
    tributyl phosphate 826.89
    diacetone alcohol 1810.81
    N,N-dimethylaniline 727.15
    acrylonitrile 2120.67
    aniline 1880.47
    1,3-propanediol 1140.85
    bromobenzene 2649.98
    dibromomethane 5109.86
    1,1,2,2-tetrachloroethane 3265.25
    2-methyl-cyclohexyl acetate 2259.95
    tetrabutyl urea 887.24
    diisobutyl methanol 2660.0
    2-phenylethanol 1770.05
    styrene 1191.39
    dioctyl adipate 1001.17
    dimethyl sulfate 414.81
    ethyl butyrate 4915.15
    methyl lactate 393.83
    butyl lactate 1072.66
    diethyl carbonate 1951.57
    propanediol butyl ether 918.35
    triethyl orthoformate 2918.04
    p-tert-butyltoluene 1552.61
    methyl 4-tert-butylbenzoate 833.3
    morpholine 6284.9
    tert-butylamine 3908.27
    n-dodecanol 894.8
    dimethoxymethane 2076.88
    ethylene carbonate 1699.53
    cyrene 550.63
    2-ethoxyethyl acetate 2241.69
    2-ethylhexyl acetate 6327.68
    1,2,4-trichlorobenzene 1493.82
    4-methylpyridine 3539.06
    dibutyl ether 4974.81
    2,6-dimethyl-4-heptanol 2660.0
    DEF 2806.02
    dimethyl isosorbide 1923.73
    tetrachloroethylene 2364.88
    eugenol 644.53
    triacetin 1021.56
    span 80 1133.7
    1,4-butanediol 325.69
    1,1-dichloroethane 4444.32
    2-methyl-1-pentanol 2035.1
    methyl formate 619.55
    2-methyl-1-butanol 3002.55
    n-decane 1024.08
    butyronitrile 5033.2
    3,7-dimethyl-1-octanol 2178.32
    1-chlorooctane 1960.46
    1-chlorotetradecane 774.22
    n-nonane 1202.2
    undecane 702.68
    tert-butylcyclohexane 1221.88
    cyclooctane 2019.64
    cyclopentanol 2879.25
    tetrahydropyran 10766.18
    tert-amyl methyl ether 3924.28
    2,5,8-trioxanonane 1588.87
    1-hexene 5662.81
    2-isopropoxyethanol 1265.56
    2,2,2-trifluoroethanol 248.12
    methyl butyrate 2406.66

    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
Jasmine rose flower headspace (China) 2 Gardenia jasminoides Ellis var. fortuniana Lindl., fam. Rubiaceae 32.52%