rel-(1R,2R,5R)-2-Methyl-5-(1-methylethenyl)cyclopentanecarboxaldehyde

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  • Identifiers

    CAS number
    1125-49-1

    Molecular formula
    C10H16O

    SMILES
    C[C@@H]1CC[C@H]([C@@H]1C=O)C(=C)C

  • Odor profile

    Green 88.06%
    Herbal 71.91%
    Fruity 65.76%
    Mint 53.59%
    Fresh 52.44%
    Woody 52.0%
    Citrus 47.06%
    Spicy 44.81%
    Aldehydic 43.9%
    Leafy 43.32%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point est.
    68.97 ˚C

  • Synonyms

    • 1125-49-1
    • rel-(1R,2R,5R)-2-Methyl-5-(1-methylethenyl)cyclopentanecarboxaldehyde
    • DTXSID001156335

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3146.69
    methanol 3084.57
    isopropanol 3189.54
    water 7.15
    ethyl acetate 1968.94
    n-propanol 2497.4
    acetone 2443.65
    n-butanol 1979.47
    acetonitrile 2786.1
    DMF 1822.3
    toluene 896.52
    isobutanol 1813.39
    1,4-dioxane 3614.18
    methyl acetate 2020.56
    THF 4336.99
    2-butanone 1992.13
    n-pentanol 1030.24
    sec-butanol 1805.75
    n-hexane 157.84
    ethylene glycol 460.68
    NMP 1061.28
    cyclohexane 264.12
    DMSO 1482.25
    n-butyl acetate 1203.27
    n-octanol 491.01
    chloroform 4865.37
    n-propyl acetate 849.84
    acetic acid 1486.8
    dichloromethane 3662.06
    cyclohexanone 1952.83
    propylene glycol 669.26
    isopropyl acetate 1257.65
    DMAc 844.48
    2-ethoxyethanol 1260.57
    isopentanol 1584.35
    n-heptane 102.03
    ethyl formate 1227.97
    1,2-dichloroethane 2220.89
    n-hexanol 1508.83
    2-methoxyethanol 2228.76
    isobutyl acetate 597.16
    tetrachloromethane 789.72
    n-pentyl acetate 565.43
    transcutol 2995.77
    n-heptanol 524.59
    ethylbenzene 409.64
    MIBK 973.55
    2-propoxyethanol 1949.75
    tert-butanol 2525.39
    MTBE 2023.0
    2-butoxyethanol 864.76
    propionic acid 1324.19
    o-xylene 443.89
    formic acid 493.01
    diethyl ether 2066.64
    m-xylene 615.96
    p-xylene 504.39
    chlorobenzene 1163.84
    dimethyl carbonate 427.01
    n-octane 50.95
    formamide 622.5
    cyclopentanone 2332.8
    2-pentanone 1532.82
    anisole 856.66
    cyclopentyl methyl ether 1533.51
    gamma-butyrolactone 2370.47
    1-methoxy-2-propanol 1841.47
    pyridine 2146.28
    3-pentanone 929.94
    furfural 1604.64
    n-dodecane 38.37
    diethylene glycol 1263.86
    diisopropyl ether 545.03
    tert-amyl alcohol 1459.62
    acetylacetone 1399.64
    n-hexadecane 44.08
    acetophenone 555.66
    methyl propionate 1109.0
    isopentyl acetate 1074.16
    trichloroethylene 3483.86
    n-nonanol 375.67
    cyclohexanol 1369.33
    benzyl alcohol 660.14
    2-ethylhexanol 596.03
    isooctanol 416.93
    dipropyl ether 690.5
    1,2-dichlorobenzene 813.48
    ethyl lactate 351.61
    propylene carbonate 1192.29
    n-methylformamide 1334.59
    2-pentanol 1253.39
    n-pentane 205.07
    1-propoxy-2-propanol 1269.39
    1-methoxy-2-propyl acetate 1043.26
    2-(2-methoxypropoxy) propanol 519.44
    mesitylene 362.66
    ε-caprolactone 1566.96
    p-cymene 238.3
    epichlorohydrin 3025.02
    1,1,1-trichloroethane 2371.21
    2-aminoethanol 1042.83
    morpholine-4-carbaldehyde 1454.84
    sulfolane 1591.88
    2,2,4-trimethylpentane 90.31
    2-methyltetrahydrofuran 2639.21
    n-hexyl acetate 782.56
    isooctane 101.65
    2-(2-butoxyethoxy)ethanol 898.21
    sec-butyl acetate 612.64
    tert-butyl acetate 1086.44
    decalin 108.11
    glycerin 660.4
    diglyme 1643.24
    acrylic acid 933.29
    isopropyl myristate 262.57
    n-butyric acid 1897.35
    acetyl acetate 909.84
    di(2-ethylhexyl) phthalate 212.45
    ethyl propionate 692.13
    nitromethane 2100.46
    1,2-diethoxyethane 1145.12
    benzonitrile 1022.68
    trioctyl phosphate 170.82
    1-bromopropane 1625.29
    gamma-valerolactone 2469.05
    n-decanol 266.25
    triethyl phosphate 207.77
    4-methyl-2-pentanol 695.13
    propionitrile 2167.1
    vinylene carbonate 1045.86
    1,1,2-trichlorotrifluoroethane 1249.34
    DMS 537.33
    cumene 270.75
    2-octanol 366.21
    2-hexanone 859.0
    octyl acetate 325.54
    limonene 333.91
    1,2-dimethoxyethane 1837.09
    ethyl orthosilicate 216.2
    tributyl phosphate 207.69
    diacetone alcohol 1040.77
    N,N-dimethylaniline 406.7
    acrylonitrile 2163.07
    aniline 1096.3
    1,3-propanediol 1538.76
    bromobenzene 1180.33
    dibromomethane 2426.53
    1,1,2,2-tetrachloroethane 2548.72
    2-methyl-cyclohexyl acetate 410.59
    tetrabutyl urea 228.16
    diisobutyl methanol 351.29
    2-phenylethanol 782.22
    styrene 510.79
    dioctyl adipate 287.53
    dimethyl sulfate 466.44
    ethyl butyrate 645.31
    methyl lactate 519.91
    butyl lactate 400.12
    diethyl carbonate 377.14
    propanediol butyl ether 686.45
    triethyl orthoformate 394.88
    p-tert-butyltoluene 239.83
    methyl 4-tert-butylbenzoate 454.64
    morpholine 3656.16
    tert-butylamine 1577.08
    n-dodecanol 192.42
    dimethoxymethane 1386.42
    ethylene carbonate 983.56
    cyrene 398.53
    2-ethoxyethyl acetate 722.61
    2-ethylhexyl acetate 639.26
    1,2,4-trichlorobenzene 887.52
    4-methylpyridine 1894.63
    dibutyl ether 528.15
    2,6-dimethyl-4-heptanol 351.29
    DEF 1108.47
    dimethyl isosorbide 820.36
    tetrachloroethylene 1587.55
    eugenol 475.02
    triacetin 465.35
    span 80 472.52
    1,4-butanediol 533.88
    1,1-dichloroethane 3079.53
    2-methyl-1-pentanol 782.26
    methyl formate 1070.24
    2-methyl-1-butanol 1261.82
    n-decane 69.25
    butyronitrile 2139.62
    3,7-dimethyl-1-octanol 468.52
    1-chlorooctane 322.08
    1-chlorotetradecane 105.45
    n-nonane 72.12
    undecane 49.45
    tert-butylcyclohexane 117.1
    cyclooctane 84.29
    cyclopentanol 1561.79
    tetrahydropyran 3074.16
    tert-amyl methyl ether 909.11
    2,5,8-trioxanonane 804.66
    1-hexene 598.85
    2-isopropoxyethanol 903.33
    2,2,2-trifluoroethanol 474.81
    methyl butyrate 914.78

    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
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.7%
Lemon verbena (Turkey) Aloysia triphylla (L'Herit.) Britton, fam. Verbenaceae 0.6%