[(1R,2S,4S)-2-Methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl]acetaldehyde

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  • Identifiers

    CAS number
    37720-84-6

    Molecular formula
    C11H16O

    SMILES
    C[C@@]1([C@@H]2CC[C@@H](C2)C1=C)CC=O

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.78%
    Green 61.39%
    Fresh 42.06%
    Aldehydic 39.48%
    Fruity 36.44%
    Floral 34.96%
    Citrus 34.69%
    Herbal 29.9%
    Oily 28.8%
    Fatty 28.04%

     

    Flavor
    Woody 42.35%
    Sweet 40.37%
    Herbal 38.15%
    Fruity 31.67%
    Spice 30.42%
    Floral 29.74%
    Spicy 27.97%
    Fresh 27.89%
    Mint 27.6%
    Minty 26.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.41 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 83.16 ˚C est.

  • Synonyms

    • DTXSID701151398
    • [(1R,2S,4S)-2-Methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl]acetaldehyde
    • rel-(1R,2S,4S)-2-Methyl-3-methylenebicyclo[2.2.1]heptane-2-acetaldehyde
    • 37720-84-6
    • 37720-84-6

  • Applications

    [(1R,2S,4S)-2-Methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl]acetaldehyde (CAS 37720-84-6) is primarily used as a chiral intermediate in fragrance chemistry, providing building blocks for the synthesis of fragrance ingredients and aroma compounds; it may function as a fragrance ingredient or odorant/fixative in perfumery and cosmetics; it can be used as a fragrance component in household cleaning and care products; in industrial manufacturing it serves as a reactive aldehyde intermediate for specialty chemicals, polymers, coatings or inks; and it is evaluated as a chiral intermediate for pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2206.55
    methanol 2268.65
    isopropanol 2025.5
    water 13.73
    ethyl acetate 4711.41
    n-propanol 1923.59
    acetone 4228.23
    n-butanol 1696.16
    acetonitrile 3841.71
    DMF 3941.53
    toluene 1690.54
    isobutanol 1270.93
    1,4-dioxane 6819.45
    methyl acetate 3747.26
    THF 7062.74
    2-butanone 3084.03
    n-pentanol 498.49
    sec-butanol 974.28
    n-hexane 27.39
    ethylene glycol 580.73
    NMP 1419.18
    cyclohexane 145.12
    DMSO 2339.24
    n-butyl acetate 1331.93
    n-octanol 189.65
    chloroform 7574.01
    n-propyl acetate 1061.42
    acetic acid 1310.38
    dichloromethane 7066.29
    cyclohexanone 2803.93
    propylene glycol 569.83
    isopropyl acetate 2441.99
    DMAc 1703.05
    2-ethoxyethanol 1277.04
    isopentanol 1261.96
    n-heptane 38.2
    ethyl formate 2260.64
    1,2-dichloroethane 4895.29
    n-hexanol 755.17
    2-methoxyethanol 3788.15
    isobutyl acetate 575.53
    tetrachloromethane 880.0
    n-pentyl acetate 463.01
    transcutol 4713.72
    n-heptanol 229.08
    ethylbenzene 450.82
    MIBK 1436.93
    2-propoxyethanol 2114.14
    tert-butanol 2181.88
    MTBE 1996.58
    2-butoxyethanol 743.03
    propionic acid 1455.76
    o-xylene 646.91
    formic acid 812.31
    diethyl ether 2558.96
    m-xylene 941.96
    p-xylene 610.66
    chlorobenzene 2080.75
    dimethyl carbonate 1542.13
    n-octane 16.05
    formamide 1919.72
    cyclopentanone 4225.99
    2-pentanone 2597.36
    anisole 1386.5
    cyclopentyl methyl ether 2049.13
    gamma-butyrolactone 5018.63
    1-methoxy-2-propanol 2762.52
    pyridine 3736.66
    3-pentanone 1714.25
    furfural 3110.88
    n-dodecane 14.03
    diethylene glycol 1792.27
    diisopropyl ether 634.66
    tert-amyl alcohol 913.39
    acetylacetone 3320.62
    n-hexadecane 16.84
    acetophenone 862.38
    methyl propionate 2803.92
    isopentyl acetate 1087.29
    trichloroethylene 7706.0
    n-nonanol 183.29
    cyclohexanol 1026.09
    benzyl alcohol 826.65
    2-ethylhexanol 320.6
    isooctanol 200.03
    dipropyl ether 590.52
    1,2-dichlorobenzene 1526.14
    ethyl lactate 435.94
    propylene carbonate 2128.71
    n-methylformamide 3122.32
    2-pentanol 846.24
    n-pentane 64.68
    1-propoxy-2-propanol 1189.34
    1-methoxy-2-propyl acetate 2014.05
    2-(2-methoxypropoxy) propanol 647.82
    mesitylene 488.72
    ε-caprolactone 2362.65
    p-cymene 236.63
    epichlorohydrin 7010.36
    1,1,1-trichloroethane 3855.04
    2-aminoethanol 1013.53
    morpholine-4-carbaldehyde 2807.88
    sulfolane 2282.77
    2,2,4-trimethylpentane 34.6
    2-methyltetrahydrofuran 3479.9
    n-hexyl acetate 642.88
    isooctane 46.12
    2-(2-butoxyethoxy)ethanol 1044.4
    sec-butyl acetate 752.34
    tert-butyl acetate 1948.64
    decalin 53.92
    glycerin 856.19
    diglyme 2393.72
    acrylic acid 1179.8
    isopropyl myristate 253.21
    n-butyric acid 2323.66
    acetyl acetate 2227.35
    di(2-ethylhexyl) phthalate 212.91
    ethyl propionate 1177.85
    nitromethane 4536.67
    1,2-diethoxyethane 1720.2
    benzonitrile 1461.46
    trioctyl phosphate 147.86
    1-bromopropane 1866.11
    gamma-valerolactone 5027.19
    n-decanol 140.59
    triethyl phosphate 276.0
    4-methyl-2-pentanol 547.02
    propionitrile 2850.73
    vinylene carbonate 2160.24
    1,1,2-trichlorotrifluoroethane 1846.07
    DMS 1065.2
    cumene 258.8
    2-octanol 146.4
    2-hexanone 749.52
    octyl acetate 296.33
    limonene 277.28
    1,2-dimethoxyethane 2397.91
    ethyl orthosilicate 266.98
    tributyl phosphate 218.99
    diacetone alcohol 1596.54
    N,N-dimethylaniline 530.01
    acrylonitrile 3523.76
    aniline 1893.56
    1,3-propanediol 2075.8
    bromobenzene 2107.2
    dibromomethane 3763.61
    1,1,2,2-tetrachloroethane 4789.14
    2-methyl-cyclohexyl acetate 432.61
    tetrabutyl urea 229.05
    diisobutyl methanol 248.84
    2-phenylethanol 934.44
    styrene 620.89
    dioctyl adipate 323.48
    dimethyl sulfate 1308.07
    ethyl butyrate 826.2
    methyl lactate 1012.18
    butyl lactate 404.28
    diethyl carbonate 587.64
    propanediol butyl ether 537.96
    triethyl orthoformate 481.95
    p-tert-butyltoluene 242.66
    methyl 4-tert-butylbenzoate 565.8
    morpholine 5713.05
    tert-butylamine 1071.59
    n-dodecanol 106.08
    dimethoxymethane 3916.65
    ethylene carbonate 2062.63
    cyrene 469.9
    2-ethoxyethyl acetate 1161.74
    2-ethylhexyl acetate 703.96
    1,2,4-trichlorobenzene 1597.14
    4-methylpyridine 3289.89
    dibutyl ether 343.57
    2,6-dimethyl-4-heptanol 248.84
    DEF 1907.57
    dimethyl isosorbide 1199.3
    tetrachloroethylene 2846.54
    eugenol 562.1
    triacetin 652.76
    span 80 454.7
    1,4-butanediol 401.38
    1,1-dichloroethane 4843.81
    2-methyl-1-pentanol 395.83
    methyl formate 2571.44
    2-methyl-1-butanol 888.07
    n-decane 22.52
    butyronitrile 2409.83
    3,7-dimethyl-1-octanol 268.24
    1-chlorooctane 149.47
    1-chlorotetradecane 60.75
    n-nonane 19.7
    undecane 17.53
    tert-butylcyclohexane 45.67
    cyclooctane 42.23
    cyclopentanol 1241.44
    tetrahydropyran 4408.58
    tert-amyl methyl ether 837.27
    2,5,8-trioxanonane 1254.89
    1-hexene 166.91
    2-isopropoxyethanol 799.12
    2,2,2-trifluoroethanol 858.74
    methyl butyrate 1289.19

    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